3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide

C12H18ClNO2S — CID 71864025

IUPAC3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCC(O)CCN(C)C(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO2S/c1-9(15)7-8-14(2)12(16)6-4-10-3-5-11(13)17-10/h3,5,9,15H,4,6-8H2,1-2H3
InChIKeyNRHFFCAPAIWPQR-UHFFFAOYSA-N
MW275.80 g/mol
LogP2.56
Rot. Bonds6

About 3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide

3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide (PubChem CID 71864025) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
PubChem CID71864025
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCC(O)CCN(C)C(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO2S/c1-9(15)7-8-14(2)12(16)6-4-10-3-5-11(13)17-10/h3,5,9,15H,4,6-8H2,1-2H3
InChIKeyNRHFFCAPAIWPQR-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139413
3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 115673311
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695476
3-(5-chlorothiophen-2-yl)-N-cyclopentyl-N-propan-2-ylpropanamide
CID 56517861
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide
CID 86985635
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 134061130
N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111695400
N-(3-amino-4-methylpentyl)-3-(4-chlorothiophen-2-yl)-N-methylpropanamide
CID 119659793
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 78888236

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide (CID 71864025) is 3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide is CC(O)CCN(C)C(=O)CCc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide?
The InChIKey is NRHFFCAPAIWPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-9(15)7-8-14(2)12(16)6-4-10-3-5-11(13)17-10/h3,5,9,15H,4,6-8H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide?
3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide has a molecular weight of 275.80 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide is sourced from PubChem (CID 71864025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).