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Chemical ID: 3915128
Chemical ID:
3915128
Name [?]:
N-cyclopentyl-2-(4-ethylphenyl)-2-[[2-(2-thienyl)acetyl]-(2-thienylmethyl)amino]-acetamide
SMILES [?]:
CCc1ccc(cc1)C(C(=O)NC2CCCC2)N(Cc3cccs3)C(=O)Cc4cccs4
InChi [?]:
InChI=1/C26H30N2O2S2/c1-2-19-11-13-20(14-12-19)25(26(30)27-21-7-3-4-8-21)28(18-23-10-6-16-32-23)24(29)17-22-9-5-15-31-22/h5-6,9-16,21,25H,2-4,7-8,17-18H2,1H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,15,16,30,22,14,17,29,21,4,8,5,7,31,23,27,19,3,6,13,28,20,25,9,10,12,18,26,11,32,24/E:(3,4)(7,8)(11,12)(13,14)/rA:32cCCCCCCCCCCONCCCCCNCCCCCSCOCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s13s16;s9;s18;s19;d20;s21;d22;s20s23;s18;d25;s25;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N2O2S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.46 |
Area: | 691.767 |
Solvation: | -3.83413 |
Coulombic: | -41.149 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 466.661 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.86 |
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.
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