Chemical ID: 3639793

Cc1ccc(cc1NC(=O)C(C)C)NC(=O)c2cccs2
Chemical ID:
3639793
Name [?]:
N-[4-methyl-3-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C(C)C)NC(=O)c2cccs2
InChi [?]:
InChI=1/C16H18N2O2S/c1-10(2)15(19)18-13-9-12(7-6-11(13)3)17-16(20)14-5-4-8-21-14/h4-10H,1-3H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:12,13,1,19,18,3,4,20,6,11,2,5,7,17,9,15,14,8,10,16,21/E:(1,2)/rA:21nCCCCCCCNCOCCCNCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11;s5;s14;d15;s15;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.2213
Area:512.403
Solvation:-2.5888
Coulombic:-42.7632
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.392
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.04
LogP (Chemaxon):2.85

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Descriptor Annotations

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