N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

C16H23NO2S — CID 103774302

IUPACN-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2CCCC2CO)cc1
InChIInChI=1S/C16H23NO2S/c1-12-5-7-13(8-6-12)10-20-11-16(19)17-15-4-2-3-14(15)9-18/h5-8,14-15,18H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyRASCFQCOQMJMOV-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.51
Rot. Bonds6

About N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 103774302) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID103774302
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2CCCC2CO)cc1
InChIInChI=1S/C16H23NO2S/c1-12-5-7-13(8-6-12)10-20-11-16(19)17-15-4-2-3-14(15)9-18/h5-8,14-15,18H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyRASCFQCOQMJMOV-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-2-(4-methylphenyl)acetamide
CID 103751406
N-[(1S,2S)-2-hydroxycyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 104957457
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 119603715
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860458
N-(2,3-dimethylcyclohexyl)-3-[(4-methylphenyl)methylsulfanyl]propanamide
CID 4987743
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 7041193
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 2374570
N-[2-(hydroxymethyl)cyclopentyl]-5-methylfuran-2-carboxamide
CID 103759065
2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798521
2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide
CID 62366139
N-[2-(hydroxymethyl)cyclopentyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 103751373

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 103774302) is N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)NC2CCCC2CO)cc1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is RASCFQCOQMJMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-12-5-7-13(8-6-12)10-20-11-16(19)17-15-4-2-3-14(15)9-18/h5-8,14-15,18H,2-4,9-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 293.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 103774302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).