2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide

C17H18ClNOS — CID 7377224

IUPAC2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNOS/c1-13(15-8-5-9-16(18)10-15)19-17(20)12-21-11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyAJNPJBCDICMDRG-ZDUSSCGKSA-N
MW319.86 g/mol
LogP4.45
Rot. Bonds6

About 2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide

2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide (PubChem CID 7377224) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
PubChem CID7377224
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNOS/c1-13(15-8-5-9-16(18)10-15)19-17(20)12-21-11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyAJNPJBCDICMDRG-ZDUSSCGKSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]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-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967993
3-[(3-chlorophenyl)methylsulfanyl]-N-(1-phenylethyl)propanamide
CID 42889731
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213542
2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2951148
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467431
N-butan-2-yl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 60629254
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7820097
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
2-(4-benzyl-1,4-diazepan-1-yl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 18151861
2-[(3-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92675751
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide (CID 7377224) is 2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide is C[C@H](NC(=O)CSCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is AJNPJBCDICMDRG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-13(15-8-5-9-16(18)10-15)19-17(20)12-21-11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 319.86 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 7377224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).