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

C15H22N2O2S — CID 81083432

IUPAC2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C15H22N2O2S/c1-19-10-12(16)15(18)17-13-8-4-5-9-14(13)20-11-6-2-3-7-11/h4-5,8-9,11-12H,2-3,6-7,10,16H2,1H3,(H,17,18)
InChIKeyUSOKUIQHRPMDNS-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.63
Rot. Bonds6

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

2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide (PubChem CID 81083432) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide
PubChem CID81083432
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C15H22N2O2S/c1-19-10-12(16)15(18)17-13-8-4-5-9-14(13)20-11-6-2-3-7-11/h4-5,8-9,11-12H,2-3,6-7,10,16H2,1H3,(H,17,18)
InChIKeyUSOKUIQHRPMDNS-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide
CID 43696805
3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride
CID 119950014
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
N-(2-cyclopentylsulfanylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 62832690
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
CID 81082978
methyl 2-(2-cyclopentylsulfanylanilino)butanoate
CID 115352915
N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835848
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
CID 60843241

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide (CID 81083432) is 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide is COCC(N)C(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide?
The InChIKey is USOKUIQHRPMDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-10-12(16)15(18)17-13-8-4-5-9-14(13)20-11-6-2-3-7-11/h4-5,8-9,11-12H,2-3,6-7,10,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide?
2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide has a molecular weight of 294.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methoxypropanamide is sourced from PubChem (CID 81083432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).