N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide

C16H24N2OS — CID 60843241

IUPACN-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C16H24N2OS/c1-12(2)17-11-16(19)18-14-9-5-6-10-15(14)20-13-7-3-4-8-13/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3,(H,18,19)
InChIKeyVLQBFGMFECDVJR-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.66
Rot. Bonds6

About N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide

N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 60843241) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID60843241
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C16H24N2OS/c1-12(2)17-11-16(19)18-14-9-5-6-10-15(14)20-13-7-3-4-8-13/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3,(H,18,19)
InChIKeyVLQBFGMFECDVJR-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

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5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide
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N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
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3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride
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CID 43696805
N-(2-cyclopentylsulfanylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 32559945
N-(2-cyclopentylsulfanylphenyl)-2-(3-fluorophenyl)acetamide
CID 32558856
5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide
CID 104683759
N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide (CID 60843241) is N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is VLQBFGMFECDVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)17-11-16(19)18-14-9-5-6-10-15(14)20-13-7-3-4-8-13/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide?
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 292.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60843241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).