5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid

C14H12BrNO4S — CID 81368112

IUPAC5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCOc1cc(Br)ccc1C(=O)Nc1cc(C)c(C(=O)O)s1
InChIInChI=1S/C14H12BrNO4S/c1-7-5-11(21-12(7)14(18)19)16-13(17)9-4-3-8(15)6-10(9)20-2/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyOMIHAYIDOXMRRB-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.78
Rot. Bonds4

About 5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 81368112) has the molecular formula C14H12BrNO4S and a molecular weight of 370.22 g/mol. Its IUPAC name is 5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID81368112
Molecular FormulaC14H12BrNO4S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCOc1cc(Br)ccc1C(=O)Nc1cc(C)c(C(=O)O)s1
InChIInChI=1S/C14H12BrNO4S/c1-7-5-11(21-12(7)14(18)19)16-13(17)9-4-3-8(15)6-10(9)20-2/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyOMIHAYIDOXMRRB-UHFFFAOYSA-N
XLogP3.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772531
5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 106860463
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 16776144
5-[(2-bromo-5-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772744
4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
CID 115369155
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
[(4-bromo-2-methoxybenzoyl)amino]urea
CID 115370230
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16792115
5-[(2,5-difluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 24701855

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid (CID 81368112) is 5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid is COc1cc(Br)ccc1C(=O)Nc1cc(C)c(C(=O)O)s1.
What is the InChIKey of 5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is OMIHAYIDOXMRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S/c1-7-5-11(21-12(7)14(18)19)16-13(17)9-4-3-8(15)6-10(9)20-2/h3-6H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 370.22 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 81368112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).