N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide

C16H24N2OS — CID 62835848

IUPACN-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C16H24N2OS/c1-16(2,17-3)15(19)18-13-10-6-7-11-14(13)20-12-8-4-5-9-12/h6-7,10-12,17H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyYXDAXSFOWUNPIJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.66
Rot. Bonds5

About N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide

N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide (PubChem CID 62835848) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide
PubChem CID62835848
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C16H24N2OS/c1-16(2,17-3)15(19)18-13-10-6-7-11-14(13)20-12-8-4-5-9-12/h6-7,10-12,17H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyYXDAXSFOWUNPIJ-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide (CID 62835848) is N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is YXDAXSFOWUNPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-16(2,17-3)15(19)18-13-10-6-7-11-14(13)20-12-8-4-5-9-12/h6-7,10-12,17H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide?
N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 292.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62835848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).