Chemical ID: 3963577

COc1cccc(c1)C(=O)Nc2ccc(nc2)NC(=O)c3cccs3
Chemical ID:
3963577
Name [?]:
N-[5-(3-methoxybenzoyl)amino-2-pyridyl]thiophene-2-carboxamide
SMILES [?]:
COc1cccc(c1)C(=O)Nc2ccc(nc2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C18H15N3O3S/c1-24-14-5-2-4-12(10-14)17(22)20-13-7-8-16(19-11-13)21-18(23)15-6-3-9-25-15/h2-11H,1H3,(H,20,22)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,23,6,4,22,13,14,24,8,17,7,12,3,21,15,9,19,16,11,18,10,20,2,25/rA:25nCOCCCCCCCONCCCCNCNCOCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.14756
Area:569.438
Solvation:-5.08838
Coulombic:-54.3502
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.396
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.96
LogP (Chemaxon):2.71

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue