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

C14H13NO4S — CID 3755332

IUPAC3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2c(C)csc2C(=O)O)cc1
InChIInChI=1S/C14H13NO4S/c1-8-7-20-12(14(17)18)11(8)15-13(16)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyAANPWXROFQHKEK-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.02
Rot. Bonds4

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

3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 3755332) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
PubChem CID3755332
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2c(C)csc2C(=O)O)cc1
InChIInChI=1S/C14H13NO4S/c1-8-7-20-12(14(17)18)11(8)15-13(16)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyAANPWXROFQHKEK-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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid (CID 3755332) is 3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid is COc1ccc(C(=O)Nc2c(C)csc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is AANPWXROFQHKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-8-7-20-12(14(17)18)11(8)15-13(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 3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-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 3-[(4-methoxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 3755332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).