N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide

C16H24N2OS — CID 60841702

IUPACN-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C16H24N2OS/c1-17-12-6-11-16(19)18-14-9-4-5-10-15(14)20-13-7-2-3-8-13/h4-5,9-10,13,17H,2-3,6-8,11-12H2,1H3,(H,18,19)
InChIKeyFJKWDIDMZVIHDP-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.66
Rot. Bonds7

About N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide

N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide (PubChem CID 60841702) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide
PubChem CID60841702
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C16H24N2OS/c1-17-12-6-11-16(19)18-14-9-4-5-10-15(14)20-13-7-2-3-8-13/h4-5,9-10,13,17H,2-3,6-8,11-12H2,1H3,(H,18,19)
InChIKeyFJKWDIDMZVIHDP-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide
CID 43696000
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
CID 60843241
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
N-[2-[[(1R)-2,2-dichlorocyclopropyl]methylsulfanyl]phenyl]-4-(methylamino)butanamide
CID 99849859
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(methylamino)butanamide
CID 54925110
N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
CID 55096699
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86931867
N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835848
1-amino-N-(2-cyclopentylsulfanylphenyl)cyclopentane-1-carboxamide
CID 60867038
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773448
N-(2-cyclopentylsulfanylphenyl)-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 43074199

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide (CID 60841702) is N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide?
The InChIKey is FJKWDIDMZVIHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-17-12-6-11-16(19)18-14-9-4-5-10-15(14)20-13-7-2-3-8-13/h4-5,9-10,13,17H,2-3,6-8,11-12H2,1H3,(H,18,19).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide?
N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide has a molecular weight of 292.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 60841702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).