2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide

C18H13N3O4S — CID 3357190

IUPAC2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H13N3O4S/c19-16(22)15-14(11-4-2-1-3-5-11)10-26-18(15)20-17(23)12-6-8-13(9-7-12)21(24)25/h1-10H,(H2,19,22)(H,20,23)
InChIKeyCQHDQSUEHHKILX-UHFFFAOYSA-N
MW367.39 g/mol
LogP3.67
Rot. Bonds5

About 2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide

2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide (PubChem CID 3357190) has the molecular formula C18H13N3O4S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide
PubChem CID3357190
Molecular FormulaC18H13N3O4S
Molecular Weight367.39 g/mol
Exact Mass367.06
IUPAC Name2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H13N3O4S/c19-16(22)15-14(11-4-2-1-3-5-11)10-26-18(15)20-17(23)12-6-8-13(9-7-12)21(24)25/h1-10H,(H2,19,22)(H,20,23)
InChIKeyCQHDQSUEHHKILX-UHFFFAOYSA-N
XLogP3.67
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloro-5-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide
CID 1014648
ethyl 4-(3-methylphenyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 1229733
2-[(4-fluorobenzoyl)amino]-4-phenylthiophene-3-carboxylic acid
CID 829695
methyl 2-[(4-methyl-3-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 4190885
methyl 2-[(4-bromobenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 3280060
5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide
CID 5212421
2-[(4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 2162689
methyl 4-(4-chlorophenyl)-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 2241845
methyl 2-[[4-(2-hydroxyethylamino)-3-nitrobenzoyl]amino]-4-phenylthiophene-3-carboxylate
CID 23990041
3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide
CID 141467383
methyl 4-carbamoyl-3-methyl-5-[(4-nitrobenzoyl)amino]thiophene-2-carboxylate
CID 44918659
ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-phenylthiophene-3-carboxylate
CID 2324010

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide (CID 3357190) is 2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide is NC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide?
The InChIKey is CQHDQSUEHHKILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4S/c19-16(22)15-14(11-4-2-1-3-5-11)10-26-18(15)20-17(23)12-6-8-13(9-7-12)21(24)25/h1-10H,(H2,19,22)(H,20,23).
What are the key properties of 2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide?
2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide has a molecular weight of 367.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide is sourced from PubChem (CID 3357190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).