N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide

C17H18ClNOS — CID 112768933

IUPACN-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSCc1ccccc1Cl
InChIInChI=1S/C17H18ClNOS/c1-19(11-14-7-3-2-4-8-14)17(20)13-21-12-15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3
InChIKeyCPQOSNPYXRSMJZ-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.23
Rot. Bonds6

About N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide

N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide (PubChem CID 112768933) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide
PubChem CID112768933
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC NameN-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSCc1ccccc1Cl
InChIInChI=1S/C17H18ClNOS/c1-19(11-14-7-3-2-4-8-14)17(20)13-21-12-15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3
InChIKeyCPQOSNPYXRSMJZ-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide
CID 961833
2-[benzyl-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132712267
N-benzyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43392395
2-[benzyl-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-N-tert-butylbutanamide
CID 132716009
(2R)-2-[benzyl-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100641231
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 112776875
N-benzyl-N-methyl-2-(3-oxobutylsulfanyl)acetamide
CID 83970924
(2S)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100683090
N-benzyl-2-[(2-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300498
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
(2R)-2-amino-3-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142225
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide (CID 112768933) is N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CSCc1ccccc1Cl.
What is the InChIKey of N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide?
The InChIKey is CPQOSNPYXRSMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-19(11-14-7-3-2-4-8-14)17(20)13-21-12-15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3.
What are the key properties of N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide?
N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide has a molecular weight of 319.86 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 112768933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).