2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide

C22H20N2O5S — CID 26675454

IUPAC2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H20N2O5S/c1-30(27,28)20-14-8-6-12-18(20)24-21(25)15-29-19-13-7-5-11-17(19)22(26)23-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyCEXHLLZPUGFIBZ-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.36
Rot. Bonds7

About 2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide

2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 26675454) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID26675454
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H20N2O5S/c1-30(27,28)20-14-8-6-12-18(20)24-21(25)15-29-19-13-7-5-11-17(19)22(26)23-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyCEXHLLZPUGFIBZ-UHFFFAOYSA-N
XLogP3.36
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 112778621
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 41428663
methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate
CID 41428666
2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 8852932
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide
CID 8866379
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
2-[2-oxo-2-(2-phenylethylamino)ethoxy]-N-phenylbenzamide
CID 2535242
2-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 9018570

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide (CID 26675454) is 2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide is CS(=O)(=O)c1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is CEXHLLZPUGFIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-30(27,28)20-14-8-6-12-18(20)24-21(25)15-29-19-13-7-5-11-17(19)22(26)23-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide?
2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 424.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 26675454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).