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

C12H16BrNO2S — CID 63797804

IUPAC3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESO=C(c1sccc1Br)N(CCO)C1CCCC1
InChIInChI=1S/C12H16BrNO2S/c13-10-5-8-17-11(10)12(16)14(6-7-15)9-3-1-2-4-9/h5,8-9,15H,1-4,6-7H2
InChIKeyVPGHELFAUODNLJ-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.89
Rot. Bonds4

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

3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide (PubChem CID 63797804) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
PubChem CID63797804
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESO=C(c1sccc1Br)N(CCO)C1CCCC1
InChIInChI=1S/C12H16BrNO2S/c13-10-5-8-17-11(10)12(16)14(6-7-15)9-3-1-2-4-9/h5,8-9,15H,1-4,6-7H2
InChIKeyVPGHELFAUODNLJ-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-(2-hydroxyethyl)-3-methylthiophene-2-carboxamide
CID 54994213
3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
CID 60619670
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide
CID 55240299
2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid
CID 62034468
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030340
N-cyclobutyl-3-ethyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
CID 102867056
N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
CID 80659701
4-bromo-N-cyclohexyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 103956472
3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 60777644
3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide
CID 102872856

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide (CID 63797804) is 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide is O=C(c1sccc1Br)N(CCO)C1CCCC1.
What is the InChIKey of 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The InChIKey is VPGHELFAUODNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-10-5-8-17-11(10)12(16)14(6-7-15)9-3-1-2-4-9/h5,8-9,15H,1-4,6-7H2.
What are the key properties of 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63797804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).