N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide

C13H19NO2S — CID 110014093

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCC2O)s1
InChIInChI=1S/C13H19NO2S/c1-2-9-6-7-10(17-9)8-14-13(16)11-4-3-5-12(11)15/h6-7,11-12,15H,2-5,8H2,1H3,(H,14,16)
InChIKeyQEALGGROFQOTOW-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.09
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide

N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014093) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014093
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCC2O)s1
InChIInChI=1S/C13H19NO2S/c1-2-9-6-7-10(17-9)8-14-13(16)11-4-3-5-12(11)15/h6-7,11-12,15H,2-5,8H2,1H3,(H,14,16)
InChIKeyQEALGGROFQOTOW-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(5-ethylthiophen-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103822739
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047
2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106005548
1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504805
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
N-[(5-ethylthiophen-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907354
1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 51085674
3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119727864
N-[2-[(5-ethylthiophen-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115618862
2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730015
3-[(5-ethylthiophen-2-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106003717
2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 103996026

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide (CID 110014093) is N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide is CCc1ccc(CNC(=O)C2CCCC2O)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is QEALGGROFQOTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-9-6-7-10(17-9)8-14-13(16)11-4-3-5-12(11)15/h6-7,11-12,15H,2-5,8H2,1H3,(H,14,16).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).