Chemical ID: 3914740

c1ccc(cc1)CN(C(c2cccs2)C(=O)NC3CCCC3)C(=O)Cc4cccs4
Chemical ID:
3914740
Name [?]:
2-[benzyl-[2-(2-thienyl)acetyl]-amino]-N-cyclopentyl-2-(2-thienyl)acetamide
SMILES [?]:
c1ccc(cc1)CN(C(c2cccs2)C(=O)NC3CCCC3)C(=O)Cc4cccs4
InChi [?]:
InChI=1/C24H26N2O2S2/c27-22(16-20-12-6-14-29-20)26(17-18-8-2-1-3-9-18)23(21-13-7-15-30-21)24(28)25-19-10-4-5-11-19/h1-3,6-9,12-15,19,23H,4-5,10-11,16-17H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,28,12,3,5,19,22,27,11,29,13,25,7,4,18,26,10,23,9,15,17,8,24,16,30,14/E:(2,3)(4,5)(8,9)(10,11)/rA:30cCCCCCCCNCCCCCSCONCCCCCCOCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s9;d15;s15;s17;s18;s19;s20;s18s21;s8;d23;s23;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26N2O2S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.7079
Area:645.07
Solvation:-3.41885
Coulombic:-41.7524
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:438.608
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.22
LogP (Chemaxon):4.0

Name Annotations

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Descriptor Annotations

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