N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide

C22H21NO4S — CID 1270942

IUPACN-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO4S/c1-16-7-13-21(14-8-16)28(25,26)23(19-9-11-20(27-3)12-10-19)22(24)18-6-4-5-17(2)15-18/h4-15H,1-3H3
InChIKeyOKCYUPOYEONDRY-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.35
Rot. Bonds5

About N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide

N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 1270942) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID1270942
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO4S/c1-16-7-13-21(14-8-16)28(25,26)23(19-9-11-20(27-3)12-10-19)22(24)18-6-4-5-17(2)15-18/h4-15H,1-3H3
InChIKeyOKCYUPOYEONDRY-UHFFFAOYSA-N
XLogP4.35
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide (CID 1270942) is N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide is COc1ccc(N(C(=O)c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is OKCYUPOYEONDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-16-7-13-21(14-8-16)28(25,26)23(19-9-11-20(27-3)12-10-19)22(24)18-6-4-5-17(2)15-18/h4-15H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide?
N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 395.48 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-methyl-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 1270942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).