N-benzhydryl-2-methyl-5-methylsulfonylbenzamide

C22H21NO3S — CID 27254371

IUPACN-benzhydryl-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO3S/c1-16-13-14-19(27(2,25)26)15-20(16)22(24)23-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,23,24)
InChIKeyUKKFJANVHCKWNE-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.92
Rot. Bonds5

About N-benzhydryl-2-methyl-5-methylsulfonylbenzamide

N-benzhydryl-2-methyl-5-methylsulfonylbenzamide (PubChem CID 27254371) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-benzhydryl-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzhydryl-2-methyl-5-methylsulfonylbenzamide
PubChem CID27254371
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC NameN-benzhydryl-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO3S/c1-16-13-14-19(27(2,25)26)15-20(16)22(24)23-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,23,24)
InChIKeyUKKFJANVHCKWNE-UHFFFAOYSA-N
XLogP3.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzhydryl-2-methyl-5-methylsulfonylbenzamide 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-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 26177688
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide
CID 46433416
N-[(2,4-dimethylphenyl)-phenylmethyl]-2,5-dimethylbenzamide
CID 133200142
N-(4-hydroxy-3-methylbutan-2-yl)-2-methyl-5-methylsulfonylbenzamide
CID 115770731
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
CID 27884542
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 51072491
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51579914
4-methoxy-2-[(2-methyl-5-methylsulfonylbenzoyl)amino]butanoic acid
CID 120703082
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-benzhydryl-2-methyl-5-methylsulfonylbenzamide (CID 27254371) is N-benzhydryl-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-benzhydryl-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-benzhydryl-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is UKKFJANVHCKWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-16-13-14-19(27(2,25)26)15-20(16)22(24)23-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,23,24).
What are the key properties of N-benzhydryl-2-methyl-5-methylsulfonylbenzamide?
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 379.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 27254371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).