2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide

C22H21NO4S — CID 1322535

IUPAC2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
SMILESCOc1ccccc1C(=O)N(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H21NO4S/c1-16-8-12-18(13-9-16)23(22(24)20-6-4-5-7-21(20)27-3)28(25,26)19-14-10-17(2)11-15-19/h4-15H,1-3H3
InChIKeyUMKYMHXEMGGKGU-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.35
Rot. Bonds5

About 2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide

2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 1322535) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID1322535
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Name2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
SMILESCOc1ccccc1C(=O)N(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H21NO4S/c1-16-8-12-18(13-9-16)23(22(24)20-6-4-5-7-21(20)27-3)28(25,26)19-14-10-17(2)11-15-19/h4-15H,1-3H3
InChIKeyUMKYMHXEMGGKGU-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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Related Compounds

N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19210849
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 19210850
N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide
CID 19211300
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide
CID 19210740
N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide
CID 19210204
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917
N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide
CID 19219342
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 19210939
N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide
CID 19210199
N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide (CID 1322535) is 2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide is COc1ccccc1C(=O)N(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is UMKYMHXEMGGKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-16-8-12-18(13-9-16)23(22(24)20-6-4-5-7-21(20)27-3)28(25,26)19-14-10-17(2)11-15-19/h4-15H,1-3H3.
What are the key properties of 2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide?
2-methoxy-N-(4-methylphenyl)-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 2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 1322535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).