2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid

C16H16ClNO3S — CID 2927062

IUPAC2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid
SMILESCC(C)Cc1csc(NC(=O)c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C16H16ClNO3S/c1-9(2)7-11-8-22-15(13(11)16(20)21)18-14(19)10-3-5-12(17)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyLOHYQHHVIJAKCW-UHFFFAOYSA-N
MW337.83 g/mol
LogP4.55
Rot. Bonds5

About 2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid

2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid (PubChem CID 2927062) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid
PubChem CID2927062
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid
SMILESCC(C)Cc1csc(NC(=O)c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C16H16ClNO3S/c1-9(2)7-11-8-22-15(13(11)16(20)21)18-14(19)10-3-5-12(17)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyLOHYQHHVIJAKCW-UHFFFAOYSA-N
XLogP4.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid (CID 2927062) is 2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid is CC(C)Cc1csc(NC(=O)c2ccc(Cl)cc2)c1C(=O)O.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid?
The InChIKey is LOHYQHHVIJAKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-9(2)7-11-8-22-15(13(11)16(20)21)18-14(19)10-3-5-12(17)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid?
2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid has a molecular weight of 337.83 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 2927062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).