2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide

C19H23NO2S — CID 95770743

IUPAC2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide
SMILESCc1c(C[S@](C)=O)cccc1NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-14-15(13-23(4)22)9-8-12-17(14)20-18(21)19(2,3)16-10-6-5-7-11-16/h5-12H,13H2,1-4H3,(H,20,21)/t23-/m0/s1
InChIKeyAASMOIMDPCYTQQ-QHCPKHFHSA-N
MW329.47 g/mol
LogP3.79
Rot. Bonds5

About 2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide

2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide (PubChem CID 95770743) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide
PubChem CID95770743
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide
SMILESCc1c(C[S@](C)=O)cccc1NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-14-15(13-23(4)22)9-8-12-17(14)20-18(21)19(2,3)16-10-6-5-7-11-16/h5-12H,13H2,1-4H3,(H,20,21)/t23-/m0/s1
InChIKeyAASMOIMDPCYTQQ-QHCPKHFHSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-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-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide
CID 119790095
N-(2-ethylphenyl)-2-methyl-2-phenylpropanamide
CID 8839434
2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide
CID 95770774
2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
CID 95629146
5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide
CID 119032734
2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide
CID 75477996
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
CID 120593763
N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide
CID 110473243
N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride
CID 120590106
N-(4-amino-2,5-dimethylphenyl)-2-methyl-2-phenylpropanamide
CID 103144554
1-(4-hydroxy-2,3,5-trimethylphenyl)-3-[2-(methylsulfinylmethyl)phenyl]urea
CID 119034707
2-(3-acetamido-2-methylphenyl)acetic acid
CID 84819235

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide?
The IUPAC name of 2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide (CID 95770743) is 2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide?
The canonical SMILES for 2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide is Cc1c(C[S@](C)=O)cccc1NC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide?
The InChIKey is AASMOIMDPCYTQQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-15(13-23(4)22)9-8-12-17(14)20-18(21)19(2,3)16-10-6-5-7-11-16/h5-12H,13H2,1-4H3,(H,20,21)/t23-/m0/s1.
What are the key properties of 2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide?
2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide has a molecular weight of 329.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide is sourced from PubChem (CID 95770743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).