N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide

C15H18N2OS — CID 63119187

IUPACN-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide
SMILESN#Cc1cccc(NC(=O)CSCC2CCCC2)c1
InChIInChI=1S/C15H18N2OS/c16-9-13-6-3-7-14(8-13)17-15(18)11-19-10-12-4-1-2-5-12/h3,6-8,12H,1-2,4-5,10-11H2,(H,17,18)
InChIKeyXIPPKHQGYVSIPB-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.42
Rot. Bonds5

About N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide

N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide (PubChem CID 63119187) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide
PubChem CID63119187
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide
SMILESN#Cc1cccc(NC(=O)CSCC2CCCC2)c1
InChIInChI=1S/C15H18N2OS/c16-9-13-6-3-7-14(8-13)17-15(18)11-19-10-12-4-1-2-5-12/h3,6-8,12H,1-2,4-5,10-11H2,(H,17,18)
InChIKeyXIPPKHQGYVSIPB-UHFFFAOYSA-N
XLogP3.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
CID 108942303
N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
CID 64699381
[2-(3-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265356
N-(3-cyanophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 110007041
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967300
N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110864817
N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide
CID 34425568
[2-(3-cyanoanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7915899
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
CID 9269727

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide (CID 63119187) is N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide is N#Cc1cccc(NC(=O)CSCC2CCCC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide?
The InChIKey is XIPPKHQGYVSIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-9-13-6-3-7-14(8-13)17-15(18)11-19-10-12-4-1-2-5-12/h3,6-8,12H,1-2,4-5,10-11H2,(H,17,18).
What are the key properties of N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide?
N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide has a molecular weight of 274.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide is sourced from PubChem (CID 63119187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).