2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide

C12H9N3O4S — CID 4559795

IUPAC2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H9N3O4S/c13-10(16)8-5-6-20-12(8)14-11(17)7-3-1-2-4-9(7)15(18)19/h1-6H,(H2,13,16)(H,14,17)
InChIKeyFEDRWMJMFDGZPI-UHFFFAOYSA-N
MW291.29 g/mol
LogP2.01
Rot. Bonds4

About 2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide

2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide (PubChem CID 4559795) has the molecular formula C12H9N3O4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
PubChem CID4559795
Molecular FormulaC12H9N3O4S
Molecular Weight291.29 g/mol
Exact Mass291.03
IUPAC Name2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H9N3O4S/c13-10(16)8-5-6-20-12(8)14-11(17)7-3-1-2-4-9(7)15(18)19/h1-6H,(H2,13,16)(H,14,17)
InChIKeyFEDRWMJMFDGZPI-UHFFFAOYSA-N
XLogP2.01
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 52.01
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-[(2-nitrobenzoyl)amino]thiophene-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

6-Methyl-2-(3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2853935
N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 2928882
2,3-Dihydro-1-methyl-2-(5-nitro-2-thienyl)-4(1H)-quinazolinone
CID 328916
6-Methyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2852188
tetrahydrobenzothiophene (THBT), 21
CID 4398380
tetrahydrobenzothiophene (THBT), 22
CID 5214710
tetrahydrobenzothiophene (THBT), 23
CID 45484341
tetrahydrobenzothiophene (THBT), 25
CID 45484347
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-(4-methyl-3-nitrophenyl)-2-thienylcarboxamide
CID 839302
N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
CID 1245285
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2537555

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide (CID 4559795) is 2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is FEDRWMJMFDGZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4S/c13-10(16)8-5-6-20-12(8)14-11(17)7-3-1-2-4-9(7)15(18)19/h1-6H,(H2,13,16)(H,14,17).
What are the key properties of 2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 291.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 4559795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).