2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid

C13H10BrNO3S — CID 43358342

IUPAC2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)c1csc(Br)c1
InChIInChI=1S/C13H10BrNO3S/c1-7-3-2-4-9(13(17)18)11(7)15-12(16)8-5-10(14)19-6-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyPXYAPCYOQULQTJ-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.77
Rot. Bonds3

About 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid

2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 43358342) has the molecular formula C13H10BrNO3S and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid
PubChem CID43358342
Molecular FormulaC13H10BrNO3S
Molecular Weight340.20 g/mol
Exact Mass338.96
IUPAC Name2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)c1csc(Br)c1
InChIInChI=1S/C13H10BrNO3S/c1-7-3-2-4-9(13(17)18)11(7)15-12(16)8-5-10(14)19-6-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyPXYAPCYOQULQTJ-UHFFFAOYSA-N
XLogP3.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43248205
(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
CID 105080186
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478
2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbenzoic acid
CID 103218854
5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
CID 43806118
2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid
CID 43354294
3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 2866795
4-amino-2-[(5-bromothiophene-3-carbonyl)amino]benzoic acid
CID 107959455
2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
CID 62515133
3-methyl-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 43358363
3-bromo-2-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802679

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid (CID 43358342) is 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1NC(=O)c1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is PXYAPCYOQULQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3S/c1-7-3-2-4-9(13(17)18)11(7)15-12(16)8-5-10(14)19-6-8/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid?
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid has a molecular weight of 340.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 43358342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).