N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide

C17H18ClNOS — CID 26569763

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNOS/c1-13-5-7-16(8-6-13)21-12-17(20)19-10-9-14-3-2-4-15(18)11-14/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyGNJFCWAEVZHVTH-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.10
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide

N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 26569763) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID26569763
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNOS/c1-13-5-7-16(8-6-13)21-12-17(20)19-10-9-14-3-2-4-15(18)11-14/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyGNJFCWAEVZHVTH-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 39731212
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
N-[2-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 8806652
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
CID 109006812
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate
CID 8564969
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
N-[2-(3-chlorophenyl)ethyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8917136
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644
N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 2098696
N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112529537

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide (CID 26569763) is N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is GNJFCWAEVZHVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-13-5-7-16(8-6-13)21-12-17(20)19-10-9-14-3-2-4-15(18)11-14/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 319.86 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 26569763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).