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

C14H12BrNO4S — CID 63616000

IUPAC2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2sc(C)cc2C(=O)O)cc1Br
InChIInChI=1S/C14H12BrNO4S/c1-7-5-9(14(18)19)13(21-7)16-12(17)8-3-4-11(20-2)10(15)6-8/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyPRPKMIIUINPKQY-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.78
Rot. Bonds4

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

2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 63616000) has the molecular formula C14H12BrNO4S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
PubChem CID63616000
Molecular FormulaC14H12BrNO4S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2sc(C)cc2C(=O)O)cc1Br
InChIInChI=1S/C14H12BrNO4S/c1-7-5-9(14(18)19)13(21-7)16-12(17)8-3-4-11(20-2)10(15)6-8/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyPRPKMIIUINPKQY-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

2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
2-[(2,5-dibromobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 114368033
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
2-[(3-bromo-5-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107937973
2-[(4-bromo-2-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616323
5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 55248378
2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107986673
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 802329
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid (CID 63616000) is 2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid is COc1ccc(C(=O)Nc2sc(C)cc2C(=O)O)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is PRPKMIIUINPKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S/c1-7-5-9(14(18)19)13(21-7)16-12(17)8-3-4-11(20-2)10(15)6-8/h3-6H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-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 2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 63616000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).