3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide

C12H16BrNO2S — CID 111426282

IUPAC3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1sccc1Br
InChIInChI=1S/C12H16BrNO2S/c13-9-5-6-17-11(9)12(16)14-7-10(15)8-3-1-2-4-8/h5-6,8,10,15H,1-4,7H2,(H,14,16)
InChIKeyDWFVCMIREWNYEM-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.79
Rot. Bonds4

About 3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide

3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide (PubChem CID 111426282) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide
PubChem CID111426282
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1sccc1Br
InChIInChI=1S/C12H16BrNO2S/c13-9-5-6-17-11(9)12(16)14-7-10(15)8-3-1-2-4-8/h5-6,8,10,15H,1-4,7H2,(H,14,16)
InChIKeyDWFVCMIREWNYEM-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-3-phenylthiophene-2-carboxamide
CID 111425839
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide
CID 115301004
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119620416
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]thiophene-3-carboxamide
CID 95292148
3-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 55150022
3-bromo-N-(4-bromo-2-methylbutyl)thiophene-2-carboxamide
CID 114316813
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65218001
3-bromo-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 114306746

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide (CID 111426282) is 3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide is O=C(NCC(O)C1CCCC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide?
The InChIKey is DWFVCMIREWNYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-9-5-6-17-11(9)12(16)14-7-10(15)8-3-1-2-4-8/h5-6,8,10,15H,1-4,7H2,(H,14,16).
What are the key properties of 3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide?
3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 111426282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).