2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide

C14H20ClNO2S — CID 65113544

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-3-14(18,4-2)10-16-13(17)9-19-12-7-5-11(15)6-8-12/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyKQMIUVFULANQRR-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.10
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide (PubChem CID 65113544) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
PubChem CID65113544
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-3-14(18,4-2)10-16-13(17)9-19-12-7-5-11(15)6-8-12/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyKQMIUVFULANQRR-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide 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-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65112733
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825250
N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 65112402
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113681
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65115027
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylbutyl)butanamide
CID 65109878

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide (CID 65113544) is 2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide is CCC(O)(CC)CNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The InChIKey is KQMIUVFULANQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-3-14(18,4-2)10-16-13(17)9-19-12-7-5-11(15)6-8-12/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide has a molecular weight of 301.84 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide is sourced from PubChem (CID 65113544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).