5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid

C11H15NO3S — CID 43414823

IUPAC5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCCCN(C)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO3S/c1-3-4-7-12(2)10(13)8-5-6-9(16-8)11(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyGPIAMXSDRIOXGF-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.32
Rot. Bonds5

About 5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid

5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 43414823) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID43414823
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCCCN(C)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO3S/c1-3-4-7-12(2)10(13)8-5-6-9(16-8)11(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyGPIAMXSDRIOXGF-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid
CID 43453001
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide
CID 134163007
N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 110855689
N-(3-bromopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 106441483
N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 110855738
3-[butyl(methyl)carbamoyl]-5-methylbenzoic acid
CID 68655036
5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
CID 60722178
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689667
N-butyl-N,3-dimethylthiophene-2-carboxamide
CID 86978133
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid (CID 43414823) is 5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid is CCCCN(C)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is GPIAMXSDRIOXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-4-7-12(2)10(13)8-5-6-9(16-8)11(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid?
5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43414823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).