N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide

C10H14ClNO2S — CID 115139413

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide
SMILESCN(CCc1ccc(Cl)s1)C(=O)CCO
InChIInChI=1S/C10H14ClNO2S/c1-12(10(14)5-7-13)6-4-8-2-3-9(11)15-8/h2-3,13H,4-7H2,1H3
InChIKeySDHWVRXHUQNOLN-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.78
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide (PubChem CID 115139413) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide
PubChem CID115139413
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide
SMILESCN(CCc1ccc(Cl)s1)C(=O)CCO
InChIInChI=1S/C10H14ClNO2S/c1-12(10(14)5-7-13)6-4-8-2-3-9(11)15-8/h2-3,13H,4-7H2,1H3
InChIKeySDHWVRXHUQNOLN-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 71864025
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide
CID 115140158
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
5-(5-chlorothiophen-2-yl)pentan-2-one
CID 64522683
N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine
CID 115226192
N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204311
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol
CID 115120936
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide (CID 115139413) is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide is CN(CCc1ccc(Cl)s1)C(=O)CCO.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide?
The InChIKey is SDHWVRXHUQNOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-12(10(14)5-7-13)6-4-8-2-3-9(11)15-8/h2-3,13H,4-7H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide has a molecular weight of 247.75 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115139413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).