2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

C14H20ClNO2S — CID 103825250

IUPAC2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
SMILESCC(C)(CCO)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-14(2,7-8-17)10-16-13(18)9-19-12-5-3-11(15)4-6-12/h3-6,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyXVMMJBGXMFGEAT-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.96
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide (PubChem CID 103825250) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
PubChem CID103825250
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
SMILESCC(C)(CCO)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-14(2,7-8-17)10-16-13(18)9-19-12-5-3-11(15)4-6-12/h3-6,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyXVMMJBGXMFGEAT-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)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-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide
CID 103825506
2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107846297
2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 94844150
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653854

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide (CID 103825250) is 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide is CC(C)(CCO)CNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The InChIKey is XVMMJBGXMFGEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-14(2,7-8-17)10-16-13(18)9-19-12-5-3-11(15)4-6-12/h3-6,17H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide has a molecular weight of 301.84 g/mol, XLogP of 2.96, 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-(4-hydroxy-2,2-dimethylbutyl)acetamide is sourced from PubChem (CID 103825250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).