5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide

C20H25N3O5S — CID 46550828

IUPAC5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C20H25N3O5S/c1-5-22-29(26,27)15-8-7-14(3)16(11-15)20(25)21-12-19(24)23-17-10-13(2)6-9-18(17)28-4/h6-11,22H,5,12H2,1-4H3,(H,21,25)(H,23,24)
InChIKeyNIRFVJXILSEHQY-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.98
Rot. Bonds8

About 5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide

5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 46550828) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
PubChem CID46550828
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C20H25N3O5S/c1-5-22-29(26,27)15-8-7-14(3)16(11-15)20(25)21-12-19(24)23-17-10-13(2)6-9-18(17)28-4/h6-11,22H,5,12H2,1-4H3,(H,21,25)(H,23,24)
InChIKeyNIRFVJXILSEHQY-UHFFFAOYSA-N
XLogP1.98
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550879
5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783242
N-(5-acetamido-2-methoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 42112029
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 46555537
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 46799014
5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
CID 26414248
5-(ethylsulfamoyl)-2-methyl-N-(2,4,5-trimethoxy-3-methylphenyl)benzamide
CID 100636430
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide
CID 19257901
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
N-(2,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112996411

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of 5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide (CID 46550828) is 5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)Nc2cc(C)ccc2OC)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is NIRFVJXILSEHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-5-22-29(26,27)15-8-7-14(3)16(11-15)20(25)21-12-19(24)23-17-10-13(2)6-9-18(17)28-4/h6-11,22H,5,12H2,1-4H3,(H,21,25)(H,23,24).
What are the key properties of 5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 419.50 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 46550828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).