2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide

C12H10BrN3O2S — CID 79721900

IUPAC2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H10BrN3O2S/c13-6-1-2-7(9(14)5-6)11(18)16-12-8(10(15)17)3-4-19-12/h1-5H,14H2,(H2,15,17)(H,16,18)
InChIKeyLBSAUOMJPFPTCC-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.44
Rot. Bonds3

About 2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide

2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide (PubChem CID 79721900) has the molecular formula C12H10BrN3O2S and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide
PubChem CID79721900
Molecular FormulaC12H10BrN3O2S
Molecular Weight340.20 g/mol
Exact Mass338.97
IUPAC Name2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H10BrN3O2S/c13-6-1-2-7(9(14)5-6)11(18)16-12-8(10(15)17)3-4-19-12/h1-5H,14H2,(H2,15,17)(H,16,18)
InChIKeyLBSAUOMJPFPTCC-UHFFFAOYSA-N
XLogP2.44
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(2-amino-4-bromobenzoyl)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

2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
CID 81003369
2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxamide
CID 6710572
2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171469
2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide
CID 2475511
4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide
CID 54877612
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 16524597
2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 79723333
2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide
CID 61377118
2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 79723692
N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide
CID 114917686
3-amino-N-(3-carbamoylthiophen-2-yl)pyridine-2-carboxamide
CID 104742045
2-amino-4-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 79722891

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide (CID 79721900) is 2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is LBSAUOMJPFPTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2S/c13-6-1-2-7(9(14)5-6)11(18)16-12-8(10(15)17)3-4-19-12/h1-5H,14H2,(H2,15,17)(H,16,18).
What are the key properties of 2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide?
2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 340.20 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 79721900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).