Chemical ID: 4284397

c1ccc(cc1)c2ccccc2NC(=O)c3cccs3
Chemical ID:
4284397
Name [?]:
N-(2-phenylphenyl)thiophene-2-carboxamide
SMILES [?]:
c1ccc(cc1)c2ccccc2NC(=O)c3cccs3
InChi [?]:
InChI=1/C17H13NOS/c19-17(16-11-6-12-20-16)18-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-12H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,10,18,3,5,8,11,17,19,4,7,12,16,14,13,15,20/E:(2,3)(7,8)/rA:20nCCCCCCCCCCCCNCOCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.88431
Area:460.953
Solvation:-1.63951
Coulombic:-25.7812
Bond Count [?]
All:22
Single:13
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.357
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.96
LogP (Chemaxon):4.2

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