N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide

C23H23NO3S — CID 18084040

IUPACN-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-28(26,27)22-14-12-21(13-15-22)23(25)24(18-20-10-6-3-7-11-20)17-16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3
InChIKeyZQBPCIOXDHAXNZ-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.98
Rot. Bonds7

About N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide

N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide (PubChem CID 18084040) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide
PubChem CID18084040
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-28(26,27)22-14-12-21(13-15-22)23(25)24(18-20-10-6-3-7-11-20)17-16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3
InChIKeyZQBPCIOXDHAXNZ-UHFFFAOYSA-N
XLogP3.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide?
The IUPAC name of N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide (CID 18084040) is N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide is CS(=O)(=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide?
The InChIKey is ZQBPCIOXDHAXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-28(26,27)22-14-12-21(13-15-22)23(25)24(18-20-10-6-3-7-11-20)17-16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3.
What are the key properties of N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide?
N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide has a molecular weight of 393.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 18084040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).