N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide

C22H21NO5S — CID 19210850

IUPACN-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide
SMILESCCOc1ccc(N(C(=O)c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21NO5S/c1-3-28-18-15-13-17(14-16-18)23(29(25,26)19-9-5-4-6-10-19)22(24)20-11-7-8-12-21(20)27-2/h4-16H,3H2,1-2H3
InChIKeyAZBVRWPJHVFCTC-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.13
Rot. Bonds7

About N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide

N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide (PubChem CID 19210850) has the molecular formula C22H21NO5S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide
PubChem CID19210850
Molecular FormulaC22H21NO5S
Molecular Weight411.48 g/mol
Exact Mass411.11
IUPAC NameN-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide
SMILESCCOc1ccc(N(C(=O)c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21NO5S/c1-3-28-18-15-13-17(14-16-18)23(29(25,26)19-9-5-4-6-10-19)22(24)20-11-7-8-12-21(20)27-2/h4-16H,3H2,1-2H3
InChIKeyAZBVRWPJHVFCTC-UHFFFAOYSA-N
XLogP4.13
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide
CID 19219342
N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19210849
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 19210466
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-nitrobenzamide
CID 19211370
N-(benzenesulfonyl)-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 19210874
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133202270
(E)-N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 19212005
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide
CID 113070611

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide?
The IUPAC name of N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide (CID 19210850) is N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide is CCOc1ccc(N(C(=O)c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide?
The InChIKey is AZBVRWPJHVFCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5S/c1-3-28-18-15-13-17(14-16-18)23(29(25,26)19-9-5-4-6-10-19)22(24)20-11-7-8-12-21(20)27-2/h4-16H,3H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide?
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide has a molecular weight of 411.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide is sourced from PubChem (CID 19210850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).