N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide

C22H21NO3S — CID 134004869

IUPACN-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C22H21NO3S/c1-23(22(24)20-10-6-7-11-21(20)27(2,25)26)16-17-12-14-19(15-13-17)18-8-4-3-5-9-18/h3-15H,16H2,1-2H3
InChIKeyJACHAUAOZGAIJV-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.03
Rot. Bonds5

About N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide

N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide (PubChem CID 134004869) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide
PubChem CID134004869
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC NameN-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C22H21NO3S/c1-23(22(24)20-10-6-7-11-21(20)27(2,25)26)16-17-12-14-19(15-13-17)18-8-4-3-5-9-18/h3-15H,16H2,1-2H3
InChIKeyJACHAUAOZGAIJV-UHFFFAOYSA-N
XLogP4.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide 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-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
CID 18081456
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
CID 35683846
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571877
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
CID 166403235
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501
2-[methyl-[2-(tribromomethylsulfonyl)benzoyl]amino]acetic acid
CID 18717050
N-methyl-1-oxido-N-[(4-phenylphenyl)methyl]pyridin-1-ium-2-carboxamide
CID 75363644
4-[[methyl-(2-methylsulfanylbenzoyl)amino]methyl]benzoic acid
CID 167984259
N-methyl-2-morpholin-4-yl-N-[(4-phenylphenyl)methyl]pyridine-3-carboxamide
CID 46591412

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide?
The IUPAC name of N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide (CID 134004869) is N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide is CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide?
The InChIKey is JACHAUAOZGAIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-23(22(24)20-10-6-7-11-21(20)27(2,25)26)16-17-12-14-19(15-13-17)18-8-4-3-5-9-18/h3-15H,16H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide?
N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide has a molecular weight of 379.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide is sourced from PubChem (CID 134004869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).