4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C15H21NO3S — CID 114511970

IUPAC4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCc2cscc2C)C1
InChIInChI=1S/C15H21NO3S/c1-3-10-4-12(13(5-10)15(18)19)14(17)16-6-11-8-20-7-9(11)2/h7-8,10,12-13H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPJALUHLGGJPJGO-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.81
Rot. Bonds5

About 4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114511970) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114511970
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCc2cscc2C)C1
InChIInChI=1S/C15H21NO3S/c1-3-10-4-12(13(5-10)15(18)19)14(17)16-6-11-8-20-7-9(11)2/h7-8,10,12-13H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPJALUHLGGJPJGO-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 ≤ 500295.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 106032423
cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106032480
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
cis-(1R,2S)-4-ethyl-2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106390546
4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114615292
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114093178
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
4-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106414692
4-ethyl-2-(2-methylsulfinylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114512108
2-(2-ethoxyethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511477
4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512122
2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512158

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 114511970) is 4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NCc2cscc2C)C1.
What is the InChIKey of 4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is PJALUHLGGJPJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-10-4-12(13(5-10)15(18)19)14(17)16-6-11-8-20-7-9(11)2/h7-8,10,12-13H,3-6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.40 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 4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).