N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide

C23H23NO3S — CID 8010067

IUPACN-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)c2ccc(CS(C)(=O)=O)cc2)c1
InChIInChI=1S/C23H23NO3S/c1-18-7-6-10-22(15-18)24(16-19-8-4-3-5-9-19)23(25)21-13-11-20(12-14-21)17-28(2,26)27/h3-15H,16-17H2,1-2H3
InChIKeyCZWSINYGUDNHDK-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.39
Rot. Bonds6

About N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide

N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 8010067) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID8010067
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)c2ccc(CS(C)(=O)=O)cc2)c1
InChIInChI=1S/C23H23NO3S/c1-18-7-6-10-22(15-18)24(16-19-8-4-3-5-9-19)23(25)21-13-11-20(12-14-21)17-28(2,26)27/h3-15H,16-17H2,1-2H3
InChIKeyCZWSINYGUDNHDK-UHFFFAOYSA-N
XLogP4.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide (CID 8010067) is N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide is Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(CS(C)(=O)=O)cc2)c1.
What is the InChIKey of N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is CZWSINYGUDNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-18-7-6-10-22(15-18)24(16-19-8-4-3-5-9-19)23(25)21-13-11-20(12-14-21)17-28(2,26)27/h3-15H,16-17H2,1-2H3.
What are the key properties of N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide?
N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 393.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-methylphenyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 8010067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).