N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide

C17H19NO2S — CID 62519290

IUPACN-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1sccc1-c1ccccc1
InChIInChI=1S/C17H19NO2S/c19-12-17(9-4-5-10-17)18-16(20)15-14(8-11-21-15)13-6-2-1-3-7-13/h1-3,6-8,11,19H,4-5,9-10,12H2,(H,18,20)
InChIKeyFSYYGPLHJNWWQU-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.45
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide (PubChem CID 62519290) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
PubChem CID62519290
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1sccc1-c1ccccc1
InChIInChI=1S/C17H19NO2S/c19-12-17(9-4-5-10-17)18-16(20)15-14(8-11-21-15)13-6-2-1-3-7-13/h1-3,6-8,11,19H,4-5,9-10,12H2,(H,18,20)
InChIKeyFSYYGPLHJNWWQU-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 62526740
3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878426
N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide
CID 81122084
N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 62520559
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide
CID 114311405
N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride
CID 119603142
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
CID 119641993
N-[1-(hydroxymethyl)cyclohexyl]thiophene-3-carboxamide
CID 62520743
3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564
N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide
CID 111425839

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide (CID 62519290) is N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide is O=C(NC1(CO)CCCC1)c1sccc1-c1ccccc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is FSYYGPLHJNWWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-12-17(9-4-5-10-17)18-16(20)15-14(8-11-21-15)13-6-2-1-3-7-13/h1-3,6-8,11,19H,4-5,9-10,12H2,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 62519290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).