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Chemical ID: 4415680
Chemical ID:
4415680
Name [?]:
2-(cyclohexyl-phenylsulfonyl-amino)-N-(2-furylmethyl)acetamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccco2)C3CCCCC3
InChi [?]:
InChI=1/C19H24N2O4S/c22-19(20-14-17-10-7-13-25-17)15-21(16-8-3-1-4-9-16)26(23,24)18-11-5-2-6-12-18/h2,5-7,10-13,16H,1,3-4,8-9,14-15H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:24,1,23,25,2,6,18,22,26,17,3,5,19,15,11,21,16,4,12,14,10,13,8,9,20,7/E:(3,4)(5,6)(8,9)(11,12)(23,24)/CRV:26.6/rA:26cCCCCCCSOONCCONCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;s16s19;s10;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.89237 |
Area: | 578.43 |
Solvation: | -4.56838 |
Coulombic: | -36.0992 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 376.471 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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