2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide

C16H18N2OS — CID 62488562

IUPAC2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide
SMILESCSc1ccc(NC(=O)C(C)(N)c2ccccc2)cc1
InChIInChI=1S/C16H18N2OS/c1-16(17,12-6-4-3-5-7-12)15(19)18-13-8-10-14(20-2)11-9-13/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyDOAYEHGDHULQBZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.22
Rot. Bonds4

About 2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide

2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide (PubChem CID 62488562) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide
PubChem CID62488562
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide
SMILESCSc1ccc(NC(=O)C(C)(N)c2ccccc2)cc1
InChIInChI=1S/C16H18N2OS/c1-16(17,12-6-4-3-5-7-12)15(19)18-13-8-10-14(20-2)11-9-13/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyDOAYEHGDHULQBZ-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide 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-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 61265174
2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
2-amino-N-(3,5-difluorophenyl)-2-phenylpropanamide
CID 62487163
2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
CID 79809132
2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 79791847
2-amino-N-(4-chloro-3-fluorophenyl)-2-phenylpropanamide
CID 62487359
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide
CID 62488915
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62488581
2-amino-N-(3-hydroxy-4-methoxyphenyl)-2-phenylpropanamide
CID 62488059
2-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylpropanamide;hydrochloride
CID 120586675
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120595365

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide (CID 62488562) is 2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide is CSc1ccc(NC(=O)C(C)(N)c2ccccc2)cc1.
What is the InChIKey of 2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide?
The InChIKey is DOAYEHGDHULQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-16(17,12-6-4-3-5-7-12)15(19)18-13-8-10-14(20-2)11-9-13/h3-11H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide?
2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide is sourced from PubChem (CID 62488562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).