2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide

C17H26N2OS — CID 43696805

IUPAC2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C17H26N2OS/c1-3-12(2)16(18)17(20)19-14-10-6-7-11-15(14)21-13-8-4-5-9-13/h6-7,10-13,16H,3-5,8-9,18H2,1-2H3,(H,19,20)
InChIKeyNWPPDWGHMVPUDJ-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.03
Rot. Bonds6

About 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide

2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide (PubChem CID 43696805) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide
PubChem CID43696805
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C17H26N2OS/c1-3-12(2)16(18)17(20)19-14-10-6-7-11-15(14)21-13-8-4-5-9-13/h6-7,10-13,16H,3-5,8-9,18H2,1-2H3,(H,19,20)
InChIKeyNWPPDWGHMVPUDJ-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide
CID 81083432
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
CID 55096699
5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide
CID 104683759
2-(aminomethyl)-N-(2-cyclopentylsulfanylphenyl)pentanamide
CID 65225963
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
methyl 2-(2-cyclopentylsulfanylanilino)butanoate
CID 115352915
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
CID 60843241
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
N-(2-cyclopentylsulfanylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 62832690
3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride
CID 119950014
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide (CID 43696805) is 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide?
The InChIKey is NWPPDWGHMVPUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-12(2)16(18)17(20)19-14-10-6-7-11-15(14)21-13-8-4-5-9-13/h6-7,10-13,16H,3-5,8-9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide?
2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide has a molecular weight of 306.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide is sourced from PubChem (CID 43696805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).