3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide

C20H19NO4S — CID 7295239

IUPAC3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c3ccccc23)c1
InChIInChI=1S/C20H19NO4S/c1-3-26(23,24)15-8-6-7-14(13-15)20(22)21-18-11-12-19(25-2)17-10-5-4-9-16(17)18/h4-13H,3H2,1-2H3,(H,21,22)
InChIKeyALCQGZPZZAUBJT-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.89
Rot. Bonds5

About 3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide

3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide (PubChem CID 7295239) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide
PubChem CID7295239
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c3ccccc23)c1
InChIInChI=1S/C20H19NO4S/c1-3-26(23,24)15-8-6-7-14(13-15)20(22)21-18-11-12-19(25-2)17-10-5-4-9-16(17)18/h4-13H,3H2,1-2H3,(H,21,22)
InChIKeyALCQGZPZZAUBJT-UHFFFAOYSA-N
XLogP3.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-(4-methoxynaphthalen-1-yl)-4-phenylbenzamide
CID 1190439
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529
N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide
CID 7295227
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371
3-(ethylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 33069732
N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 52707757
4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 43981188
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methoxynaphthalen-1-yl)benzamide
CID 121044893

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide?
The IUPAC name of 3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide (CID 7295239) is 3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide?
The canonical SMILES for 3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide is CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c3ccccc23)c1.
What is the InChIKey of 3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide?
The InChIKey is ALCQGZPZZAUBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-3-26(23,24)15-8-6-7-14(13-15)20(22)21-18-11-12-19(25-2)17-10-5-4-9-16(17)18/h4-13H,3H2,1-2H3,(H,21,22).
What are the key properties of 3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide?
3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide has a molecular weight of 369.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide is sourced from PubChem (CID 7295239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).