4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid

C19H16N2O4S — CID 169086222

IUPAC4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C)nc2)cc1
InChIInChI=1S/C19H16N2O4S/c1-11-3-6-13(7-4-11)17(22)21-15-9-16(18(23)24)26-19(15)25-14-8-5-12(2)20-10-14/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyPVLFOGZABQHTEJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.50
Rot. Bonds5

About 4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid

4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid (PubChem CID 169086222) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid
PubChem CID169086222
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C)nc2)cc1
InChIInChI=1S/C19H16N2O4S/c1-11-3-6-13(7-4-11)17(22)21-15-9-16(18(23)24)26-19(15)25-14-8-5-12(2)20-10-14/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyPVLFOGZABQHTEJ-UHFFFAOYSA-N
XLogP4.50
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid (CID 169086222) is 4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)sc2Oc2ccc(C)nc2)cc1.
What is the InChIKey of 4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
The InChIKey is PVLFOGZABQHTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-11-3-6-13(7-4-11)17(22)21-15-9-16(18(23)24)26-19(15)25-14-8-5-12(2)20-10-14/h3-10H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid has a molecular weight of 368.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylbenzoyl)amino]-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 169086222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).