3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide

C25H21NO3S — CID 515165

IUPAC3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(C(=O)NCc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C25H21NO3S/c1-30(28,29)23-14-12-18(13-15-23)20-8-5-9-21(16-20)25(27)26-17-22-10-4-7-19-6-2-3-11-24(19)22/h2-16H,17H2,1H3,(H,26,27)
InChIKeyNOVMORZIOSUEIC-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.84
Rot. Bonds5

About 3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide

3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide (PubChem CID 515165) has the molecular formula C25H21NO3S and a molecular weight of 415.51 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide
PubChem CID515165
Molecular FormulaC25H21NO3S
Molecular Weight415.51 g/mol
Exact Mass415.12
IUPAC Name3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(C(=O)NCc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C25H21NO3S/c1-30(28,29)23-14-12-18(13-15-23)20-8-5-9-21(16-20)25(27)26-17-22-10-4-7-19-6-2-3-11-24(19)22/h2-16H,17H2,1H3,(H,26,27)
InChIKeyNOVMORZIOSUEIC-UHFFFAOYSA-N
XLogP4.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide?
The IUPAC name of 3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide (CID 515165) is 3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide is CS(=O)(=O)c1ccc(-c2cccc(C(=O)NCc3cccc4ccccc34)c2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide?
The InChIKey is NOVMORZIOSUEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3S/c1-30(28,29)23-14-12-18(13-15-23)20-8-5-9-21(16-20)25(27)26-17-22-10-4-7-19-6-2-3-11-24(19)22/h2-16H,17H2,1H3,(H,26,27).
What are the key properties of 3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide?
3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide has a molecular weight of 415.51 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-N-(naphthalen-1-ylmethyl)benzamide is sourced from PubChem (CID 515165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).