N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide

C14H21ClN2OS — CID 119642078

IUPACN-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESCCC(N)(CC)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2OS/c1-3-14(16,4-2)10-17-13(18)9-19-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyOEWYZDRJPZYMMJ-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.07
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide

N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 119642078) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID119642078
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESCCC(N)(CC)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2OS/c1-3-14(16,4-2)10-17-13(18)9-19-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyOEWYZDRJPZYMMJ-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide 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-hydroxyphenyl)sulfanylacetamide;hydrochloride
CID 119640688
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-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119641427
N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
CID 119641139
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825250
N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119642531
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 119642937
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119625677

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide (CID 119642078) is N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide is CCC(N)(CC)CNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is OEWYZDRJPZYMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-3-14(16,4-2)10-17-13(18)9-19-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide?
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 300.85 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 119642078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).