2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid

C15H15NO3S — CID 61475052

IUPAC2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
SMILESCC(Cc1ccsc1)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H15NO3S/c1-10(8-11-6-7-20-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h2-7,9-10H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyQWZRTBLMPYLQBP-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.81
Rot. Bonds5

About 2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid

2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid (PubChem CID 61475052) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
PubChem CID61475052
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
SMILESCC(Cc1ccsc1)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H15NO3S/c1-10(8-11-6-7-20-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h2-7,9-10H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyQWZRTBLMPYLQBP-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
CID 43529160
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843
2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 115677734
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 103889839
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114746
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 62877508
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 94755950
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61473727

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid (CID 61475052) is 2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid is CC(Cc1ccsc1)NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid?
The InChIKey is QWZRTBLMPYLQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10(8-11-6-7-20-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h2-7,9-10H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid?
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid has a molecular weight of 289.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 61475052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).