5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide

C17H26N2OS — CID 104683759

IUPAC5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C17H26N2OS/c1-13(7-6-12-18)17(20)19-15-10-4-5-11-16(15)21-14-8-2-3-9-14/h4-5,10-11,13-14H,2-3,6-9,12,18H2,1H3,(H,19,20)
InChIKeyGVGWKDOHTISEOA-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.03
Rot. Bonds7

About 5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide

5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide (PubChem CID 104683759) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide
PubChem CID104683759
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C17H26N2OS/c1-13(7-6-12-18)17(20)19-15-10-4-5-11-16(15)21-14-8-2-3-9-14/h4-5,10-11,13-14H,2-3,6-9,12,18H2,1H3,(H,19,20)
InChIKeyGVGWKDOHTISEOA-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide
CID 65225963
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
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N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
CID 55096699
2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide
CID 43696805
2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide
CID 81083432
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
CID 60843241
5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide
CID 112517031
N-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide
CID 60841702
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
CID 114254673
methyl 2-(2-cyclopentylsulfanylanilino)butanoate
CID 115352915
5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide
CID 43696000

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide (CID 104683759) is 5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide is CC(CCCN)C(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of 5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide?
The InChIKey is GVGWKDOHTISEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-13(7-6-12-18)17(20)19-15-10-4-5-11-16(15)21-14-8-2-3-9-14/h4-5,10-11,13-14H,2-3,6-9,12,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide?
5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide has a molecular weight of 306.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide is sourced from PubChem (CID 104683759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).