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

C14H13NO4S — CID 760013

IUPAC2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2sc(C)cc2C(=O)O)cc1
InChIInChI=1S/C14H13NO4S/c1-8-7-11(14(17)18)13(20-8)15-12(16)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyOMEQNFXUVPSKTH-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.02
Rot. Bonds4

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

2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 760013) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
PubChem CID760013
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2sc(C)cc2C(=O)O)cc1
InChIInChI=1S/C14H13NO4S/c1-8-7-11(14(17)18)13(20-8)15-12(16)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyOMEQNFXUVPSKTH-UHFFFAOYSA-N
XLogP3.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616000
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 63615838
5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 114818997
5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 55248378
5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-methoxybenzamide
CID 2814381
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
N-(4,5-dimethylthiophen-2-yl)-4-methoxybenzamide
CID 1382571
methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19508801

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid (CID 760013) is 2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid is COc1ccc(C(=O)Nc2sc(C)cc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is OMEQNFXUVPSKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-8-7-11(14(17)18)13(20-8)15-12(16)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 760013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).