2-amino-N-(2-phenylsulfanylphenyl)pentanamide

C17H20N2OS — CID 61253814

IUPAC2-amino-N-(2-phenylsulfanylphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-2-8-14(18)17(20)19-15-11-6-7-12-16(15)21-13-9-4-3-5-10-13/h3-7,9-12,14H,2,8,18H2,1H3,(H,19,20)
InChIKeyZPRSPUKNNZDHQH-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.90
Rot. Bonds6

About 2-amino-N-(2-phenylsulfanylphenyl)pentanamide

2-amino-N-(2-phenylsulfanylphenyl)pentanamide (PubChem CID 61253814) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-amino-N-(2-phenylsulfanylphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2-phenylsulfanylphenyl)pentanamide
PubChem CID61253814
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-amino-N-(2-phenylsulfanylphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-2-8-14(18)17(20)19-15-11-6-7-12-16(15)21-13-9-4-3-5-10-13/h3-7,9-12,14H,2,8,18H2,1H3,(H,19,20)
InChIKeyZPRSPUKNNZDHQH-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(2-phenylsulfanylphenyl)pentanamide 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

(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
1-pentan-3-yl-3-(2-phenylsulfanylphenyl)urea
CID 108888275
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide
CID 108515194
2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride
CID 119320774
2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride
CID 119272252

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenylsulfanylphenyl)pentanamide?
The IUPAC name of 2-amino-N-(2-phenylsulfanylphenyl)pentanamide (CID 61253814) is 2-amino-N-(2-phenylsulfanylphenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2-phenylsulfanylphenyl)pentanamide?
The canonical SMILES for 2-amino-N-(2-phenylsulfanylphenyl)pentanamide is CCCC(N)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-amino-N-(2-phenylsulfanylphenyl)pentanamide?
The InChIKey is ZPRSPUKNNZDHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-8-14(18)17(20)19-15-11-6-7-12-16(15)21-13-9-4-3-5-10-13/h3-7,9-12,14H,2,8,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(2-phenylsulfanylphenyl)pentanamide?
2-amino-N-(2-phenylsulfanylphenyl)pentanamide has a molecular weight of 300.43 g/mol, XLogP of 3.90, 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-phenylsulfanylphenyl)pentanamide is sourced from PubChem (CID 61253814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).