N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide

C16H16ClNOS — CID 562971

IUPACN-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNOS/c1-18(11-13-5-3-2-4-6-13)16(19)12-20-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3
InChIKeyGODIPIVUYYDCMJ-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.09
Rot. Bonds5

About N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide

N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide (PubChem CID 562971) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide
PubChem CID562971
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNOS/c1-18(11-13-5-3-2-4-6-13)16(19)12-20-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3
InChIKeyGODIPIVUYYDCMJ-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide?
The IUPAC name of N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide (CID 562971) is N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide is CN(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide?
The InChIKey is GODIPIVUYYDCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-18(11-13-5-3-2-4-6-13)16(19)12-20-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3.
What are the key properties of N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide?
N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide has a molecular weight of 305.83 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 562971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).