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Chemical ID: 3920704
Chemical ID:
3920704
Name [?]:
2-[cyclopentyl-[2-(4-methoxyphenyl)sulfonylaminoacetyl]-amino]-N-(2-furylmethyl)butanamide
SMILES [?]:
CCC(C(=O)NCc1ccco1)N(C2CCCC2)C(=O)CNS(=O)(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H31N3O6S/c1-3-21(23(28)24-15-19-9-6-14-32-19)26(17-7-4-5-8-17)22(27)16-25-33(29,30)20-12-10-18(31-2)11-13-20/h6,9-14,17,21,25H,3-5,7-8,15-16H2,1-2H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,33,2,16,17,10,15,18,9,28,30,27,31,11,7,21,14,29,8,26,3,19,4,6,22,13,20,5,24,25,32,12,23/E:(4,5)(7,8)(10,11)(12,13)(29,30)/CRV:33.6/rA:33cCCCCONCCCCCONCCCCCCOCNSOOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s8s11;s3;s13;s14;s15;s16;s14s17;s13;d19;s19;s21;s22;d23;d23;s23;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31N3O6S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5553 |
Area: | 706.147 |
Solvation: | -6.09837 |
Coulombic: | -63.6842 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 477.575 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.69 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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