2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide

C13H11BrN2O2S — CID 81003369

IUPAC2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1ccc(Br)c(C(=O)Nc2sccc2C(N)=O)c1
InChIInChI=1S/C13H11BrN2O2S/c1-7-2-3-10(14)9(6-7)12(18)16-13-8(11(15)17)4-5-19-13/h2-6H,1H3,(H2,15,17)(H,16,18)
InChIKeyNSVDFLMVBMXCLJ-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.17
Rot. Bonds3

About 2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide

2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 81003369) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID81003369
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC Name2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1ccc(Br)c(C(=O)Nc2sccc2C(N)=O)c1
InChIInChI=1S/C13H11BrN2O2S/c1-7-2-3-10(14)9(6-7)12(18)16-13-8(11(15)17)4-5-19-13/h2-6H,1H3,(H2,15,17)(H,16,18)
InChIKeyNSVDFLMVBMXCLJ-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 81109933
2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide
CID 79721900
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 2103495
N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide
CID 80980410
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxamide
CID 6710572
2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide
CID 61377118
2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide
CID 2117879
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 8550118
methyl 2-[(2-bromo-5-methylbenzoyl)amino]propanoate
CID 81109488

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide (CID 81003369) is 2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide is Cc1ccc(Br)c(C(=O)Nc2sccc2C(N)=O)c1.
What is the InChIKey of 2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is NSVDFLMVBMXCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c1-7-2-3-10(14)9(6-7)12(18)16-13-8(11(15)17)4-5-19-13/h2-6H,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide?
2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 339.21 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 81003369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).