5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid

C15H15NO3S — CID 43414555

IUPAC5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCCc1ccc(NC(=O)c2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C15H15NO3S/c1-2-3-10-4-6-11(7-5-10)16-14(17)12-8-9-13(20-12)15(18)19/h4-9H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeyODMGZLAQQCFGNM-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.65
Rot. Bonds5

About 5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid

5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 43414555) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID43414555
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCCc1ccc(NC(=O)c2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C15H15NO3S/c1-2-3-10-4-6-11(7-5-10)16-14(17)12-8-9-13(20-12)15(18)19/h4-9H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeyODMGZLAQQCFGNM-UHFFFAOYSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(phenylcarbamoyl)thiophene-2-carboxylic acid
CID 43414375
5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide
CID 61076019
5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 119185766
2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid
CID 175843411
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
5-ethyl-N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64793569
5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
CID 61222679
5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 43429906
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
2-oxo-6-phenyl-N-(4-propylphenyl)-1H-pyridine-3-carboxamide
CID 112830494
3-[5-[(4-ethylphenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76906690
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid (CID 43414555) is 5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid is CCCc1ccc(NC(=O)c2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is ODMGZLAQQCFGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-3-10-4-6-11(7-5-10)16-14(17)12-8-9-13(20-12)15(18)19/h4-9H,2-3H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid?
5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43414555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).