N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C24H19N3O2S — CID 9154188

IUPACN-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Nc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C24H19N3O2S/c28-23(17-12-14-19(15-13-17)26-24(29)22-11-6-16-30-22)27-21-10-5-4-9-20(21)25-18-7-2-1-3-8-18/h1-16,25H,(H,26,29)(H,27,28)
InChIKeyMAQKRXLRMXKBNU-UHFFFAOYSA-N
MW413.50 g/mol
LogP6.00
Rot. Bonds6

About N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 9154188) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID9154188
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Nc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C24H19N3O2S/c28-23(17-12-14-19(15-13-17)26-24(29)22-11-6-16-30-22)27-21-10-5-4-9-20(21)25-18-7-2-1-3-8-18/h1-16,25H,(H,26,29)(H,27,28)
InChIKeyMAQKRXLRMXKBNU-UHFFFAOYSA-N
XLogP6.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide
CID 112986746
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9480193
N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60528117

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 9154188) is N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1Nc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is MAQKRXLRMXKBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-23(17-12-14-19(15-13-17)26-24(29)22-11-6-16-30-22)27-21-10-5-4-9-20(21)25-18-7-2-1-3-8-18/h1-16,25H,(H,26,29)(H,27,28).
What are the key properties of N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 6.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9154188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).