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

C23H23NO4S — CID 19210849

IUPACN-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
SMILESCCc1ccc(N(C(=O)c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO4S/c1-4-18-11-13-19(14-12-18)24(23(25)21-7-5-6-8-22(21)28-3)29(26,27)20-15-9-17(2)10-16-20/h5-16H,4H2,1-3H3
InChIKeyWJQSJOUXJUKSDB-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.60
Rot. Bonds6

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

N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 19210849) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID19210849
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC NameN-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
SMILESCCc1ccc(N(C(=O)c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO4S/c1-4-18-11-13-19(14-12-18)24(23(25)21-7-5-6-8-22(21)28-3)29(26,27)20-15-9-17(2)10-16-20/h5-16H,4H2,1-3H3
InChIKeyWJQSJOUXJUKSDB-UHFFFAOYSA-N
XLogP4.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 19210850
N-(4-ethylphenyl)-3,5-dimethoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19211422
N-(benzenesulfonyl)-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 19210874
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 19210939
N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695
N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide
CID 19210204
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide
CID 19219342
N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide
CID 19211300
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide (CID 19210849) is N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide is CCc1ccc(N(C(=O)c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is WJQSJOUXJUKSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-4-18-11-13-19(14-12-18)24(23(25)21-7-5-6-8-22(21)28-3)29(26,27)20-15-9-17(2)10-16-20/h5-16H,4H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide?
N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 409.51 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 19210849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).