N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide

C16H20N2O2S — CID 64699381

IUPACN-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
SMILESN#Cc1cccc(NC(=O)CCS(=O)CC2CCCC2)c1
InChIInChI=1S/C16H20N2O2S/c17-11-14-6-3-7-15(10-14)18-16(19)8-9-21(20)12-13-4-1-2-5-13/h3,6-7,10,13H,1-2,4-5,8-9,12H2,(H,18,19)
InChIKeySCSXFSYXALHLHS-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.83
Rot. Bonds6

About N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide

N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide (PubChem CID 64699381) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
PubChem CID64699381
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
SMILESN#Cc1cccc(NC(=O)CCS(=O)CC2CCCC2)c1
InChIInChI=1S/C16H20N2O2S/c17-11-14-6-3-7-15(10-14)18-16(19)8-9-21(20)12-13-4-1-2-5-13/h3,6-7,10,13H,1-2,4-5,8-9,12H2,(H,18,19)
InChIKeySCSXFSYXALHLHS-UHFFFAOYSA-N
XLogP2.83
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-cycloheptylacetamide
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3-butylsulfinyl-N-(3-cyanophenyl)propanamide
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[2-(3-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265356
N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide
CID 63119187
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-(3-amino-4-fluorophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
CID 63119671
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
CID 108942303
N-(3-cyanophenyl)-4-propylsulfinylbutanamide
CID 64690477
N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide
CID 106201586
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
N-(3-cyanophenyl)-4-(3-methoxypropylsulfinyl)butanamide
CID 64690023
N-(3-cyanophenyl)-2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]acetamide
CID 34425568

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide (CID 64699381) is N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide is N#Cc1cccc(NC(=O)CCS(=O)CC2CCCC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide?
The InChIKey is SCSXFSYXALHLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c17-11-14-6-3-7-15(10-14)18-16(19)8-9-21(20)12-13-4-1-2-5-13/h3,6-7,10,13H,1-2,4-5,8-9,12H2,(H,18,19).
What are the key properties of N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide?
N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide has a molecular weight of 304.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide is sourced from PubChem (CID 64699381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).