2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide

C13H18BrNO2S — CID 111471124

IUPAC2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESCC(C(=O)NCC1CCCC1O)c1ccc(Br)s1
InChIInChI=1S/C13H18BrNO2S/c1-8(11-5-6-12(14)18-11)13(17)15-7-9-3-2-4-10(9)16/h5-6,8-10,16H,2-4,7H2,1H3,(H,15,17)
InChIKeyAOKJRRDZIUHKHN-UHFFFAOYSA-N
MW332.26 g/mol
LogP2.89
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide

2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide (PubChem CID 111471124) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
PubChem CID111471124
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESCC(C(=O)NCC1CCCC1O)c1ccc(Br)s1
InChIInChI=1S/C13H18BrNO2S/c1-8(11-5-6-12(14)18-11)13(17)15-7-9-3-2-4-10(9)16/h5-6,8-10,16H,2-4,7H2,1H3,(H,15,17)
InChIKeyAOKJRRDZIUHKHN-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119507663
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529
2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide
CID 119388690
2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484349
(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide
CID 79025652
2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64929109
(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
N-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-phenylpropanamide
CID 111471021
2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388689
2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120947097
(2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 111471262

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide (CID 111471124) is 2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide is CC(C(=O)NCC1CCCC1O)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is AOKJRRDZIUHKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-8(11-5-6-12(14)18-11)13(17)15-7-9-3-2-4-10(9)16/h5-6,8-10,16H,2-4,7H2,1H3,(H,15,17).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 332.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 111471124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).