N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

C16H16ClNOS — CID 2708525

IUPACN-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2Cl)cc1C
InChIInChI=1S/C16H16ClNOS/c1-11-7-8-13(9-12(11)2)20-10-16(19)18-15-6-4-3-5-14(15)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyNRMGFEXLYKPQFM-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.69
Rot. Bonds4

About N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (PubChem CID 2708525) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
PubChem CID2708525
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2Cl)cc1C
InChIInChI=1S/C16H16ClNOS/c1-11-7-8-13(9-12(11)2)20-10-16(19)18-15-6-4-3-5-14(15)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyNRMGFEXLYKPQFM-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 18288638
N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708526
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
N-(2-chloro-5-nitrophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591556
N-[4-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775724
N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8633936
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 16543235
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 8633965
N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide
CID 2822568
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 36553979
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (CID 2708525) is N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccccc2Cl)cc1C.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is NRMGFEXLYKPQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-11-7-8-13(9-12(11)2)20-10-16(19)18-15-6-4-3-5-14(15)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 305.83 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2708525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).