N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

C19H23NO3S — CID 3644529

IUPACN-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-3-7-17(8-4-15)13-20-19(21)11-12-24(22,23)14-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H,20,21)
InChIKeyDGHCZBUMYGDBTO-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.92
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (PubChem CID 3644529) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
PubChem CID3644529
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-3-7-17(8-4-15)13-20-19(21)11-12-24(22,23)14-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H,20,21)
InChIKeyDGHCZBUMYGDBTO-UHFFFAOYSA-N
XLogP2.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide 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

N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
2-[(4-fluorobenzyl)thio]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3324373
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623
N-(4-methylbenzyl)-3-[(4-methylbenzyl)thio]propanamide
CID 4086402
N-(4-fluorobenzyl)-2-[(4-fluorobenzyl)thio]acetamide
CID 5045192
3-[(2-fluorobenzyl)thio]-N-(1-phenylethyl)propanamide
CID 5053724

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (CID 3644529) is N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is Cc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is DGHCZBUMYGDBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-3-7-17(8-4-15)13-20-19(21)11-12-24(22,23)14-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 345.46 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 3644529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).