2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide

C18H20N2O5S — CID 9071303

IUPAC2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H20N2O5S/c1-3-25-16-10-5-4-9-15(16)18(22)19-12-17(21)20-13-7-6-8-14(11-13)26(2,23)24/h4-11H,3,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPSGSJFVTJNZBGK-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.86
Rot. Bonds7

About 2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide

2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide (PubChem CID 9071303) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
PubChem CID9071303
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H20N2O5S/c1-3-25-16-10-5-4-9-15(16)18(22)19-12-17(21)20-13-7-6-8-14(11-13)26(2,23)24/h4-11H,3,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPSGSJFVTJNZBGK-UHFFFAOYSA-N
XLogP1.86
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071274
2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959821
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
CID 9165970
[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807711
2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide
CID 38613975
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548139
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide
CID 9071253
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
CID 134013213
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide (CID 9071303) is 2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide?
The InChIKey is PSGSJFVTJNZBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-25-16-10-5-4-9-15(16)18(22)19-12-17(21)20-13-7-6-8-14(11-13)26(2,23)24/h4-11H,3,12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide?
2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide has a molecular weight of 376.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9071303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).