4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide

C19H23N3O5S — CID 9493691

IUPAC4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)ccc1OC
InChIInChI=1S/C19H23N3O5S/c1-13-5-8-15(9-6-13)21-18(23)12-22(3)19(24)14-7-10-16(27-4)17(11-14)28(25,26)20-2/h5-11,20H,12H2,1-4H3,(H,21,23)
InChIKeyGAWKVIVVXHHWEA-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.62
Rot. Bonds7

About 4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide

4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide (PubChem CID 9493691) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide
PubChem CID9493691
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)ccc1OC
InChIInChI=1S/C19H23N3O5S/c1-13-5-8-15(9-6-13)21-18(23)12-22(3)19(24)14-7-10-16(27-4)17(11-14)28(25,26)20-2/h5-11,20H,12H2,1-4H3,(H,21,23)
InChIKeyGAWKVIVVXHHWEA-UHFFFAOYSA-N
XLogP1.62
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-sulfamoylbenzamide
CID 9493763
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 8966511
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39735566
4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 40728961
3,4-dimethoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7974245
3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 9374642
4-[[2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 126394467
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126393780
5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9374583
tert-butyl N-[4-[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9374645
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide (CID 9493691) is 4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)ccc1OC.
What is the InChIKey of 4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is GAWKVIVVXHHWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-13-5-8-15(9-6-13)21-18(23)12-22(3)19(24)14-7-10-16(27-4)17(11-14)28(25,26)20-2/h5-11,20H,12H2,1-4H3,(H,21,23).
What are the key properties of 4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide?
4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 405.48 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 9493691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).