3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid

C19H15NO3S — CID 3008420

IUPAC3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C19H15NO3S/c1-12-7-5-6-10-14(12)18(21)20-15-11-16(24-17(15)19(22)23)13-8-3-2-4-9-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyUGTLALRQEQIXGB-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.67
Rot. Bonds4

About 3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid

3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid (PubChem CID 3008420) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
PubChem CID3008420
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C19H15NO3S/c1-12-7-5-6-10-14(12)18(21)20-15-11-16(24-17(15)19(22)23)13-8-3-2-4-9-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyUGTLALRQEQIXGB-UHFFFAOYSA-N
XLogP4.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid (CID 3008420) is 3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid is Cc1ccccc1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)O.
What is the InChIKey of 3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
The InChIKey is UGTLALRQEQIXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-12-7-5-6-10-14(12)18(21)20-15-11-16(24-17(15)19(22)23)13-8-3-2-4-9-13/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid has a molecular weight of 337.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 3008420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).