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

C16H16ClNO3S — CID 917244

IUPAC2-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid
SMILESCC(C)Cc1csc(NC(=O)c2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C16H16ClNO3S/c1-9(2)7-10-8-22-15(13(10)16(20)21)18-14(19)11-5-3-4-6-12(11)17/h3-6,8-9H,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUQYREHBUJPNBEK-UHFFFAOYSA-N
MW337.83 g/mol
LogP4.55
Rot. Bonds5

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

2-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid (PubChem CID 917244) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid
PubChem CID917244
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name2-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid
SMILESCC(C)Cc1csc(NC(=O)c2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C16H16ClNO3S/c1-9(2)7-10-8-22-15(13(10)16(20)21)18-14(19)11-5-3-4-6-12(11)17/h3-6,8-9H,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUQYREHBUJPNBEK-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-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid (CID 917244) is 2-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid is CC(C)Cc1csc(NC(=O)c2ccccc2Cl)c1C(=O)O.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid?
The InChIKey is UQYREHBUJPNBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-9(2)7-10-8-22-15(13(10)16(20)21)18-14(19)11-5-3-4-6-12(11)17/h3-6,8-9H,7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid?
2-[(2-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-[(2-chlorobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 917244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).