2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide

C15H21NOS — CID 6456804

IUPAC2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC2CCCC2)c(C)c1
InChIInChI=1S/C15H21NOS/c1-11-7-8-14(12(2)9-11)16-15(17)10-18-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyNUQUMDNPQVLLEZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.92
Rot. Bonds4

About 2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide

2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide (PubChem CID 6456804) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
PubChem CID6456804
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC2CCCC2)c(C)c1
InChIInChI=1S/C15H21NOS/c1-11-7-8-14(12(2)9-11)16-15(17)10-18-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyNUQUMDNPQVLLEZ-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 60643768
methyl 3-[(2-cyclopentylsulfanylacetyl)amino]-4-methylbenzoate
CID 7395646
N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide
CID 62723140
2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
CID 7825723
2-(cyclohexylcarbamoylamino)-N-(2,4-dimethylphenyl)acetamide
CID 112996389
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969538
N-(2,4-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583301
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
2-[(2S,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 41385171
2-[2-(2-acetylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 30905320

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide (CID 6456804) is 2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSC2CCCC2)c(C)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is NUQUMDNPQVLLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-7-8-14(12(2)9-11)16-15(17)10-18-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide?
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 263.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 6456804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).