Chemical ID: 4431611

Cc1cccc(c1C)NC(=O)C(=O)NCc2cccs2
Chemical ID:
4431611
Name [?]:
N-(2,3-dimethylphenyl)-N'-(2-thienylmethyl)oxamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)C(=O)NCc2cccs2
InChi [?]:
InChI=1/C15H16N2O2S/c1-10-5-3-7-13(11(10)2)17-15(19)14(18)16-9-12-6-4-8-20-12/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,8,4,18,3,17,5,19,15,2,7,16,6,12,10,14,9,13,11,20/rA:20nCCCCCCCCNCOCONCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.5131
Area:499.964
Solvation:-1.98603
Coulombic:-47.999
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:288.366
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.89
LogP (Chemaxon):2.16

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Descriptor Annotations

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