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

C19H23N3O5S — CID 9374642

IUPAC3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C19H23N3O5S/c1-14-8-10-16(11-9-14)20-18(23)13-21(2)19(24)15-6-5-7-17(12-15)28(25,26)22(3)27-4/h5-12H,13H2,1-4H3,(H,20,23)
InChIKeyZWPDIIPLKGDSSR-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.89
Rot. Bonds7

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

3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide (PubChem CID 9374642) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
PubChem CID9374642
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C19H23N3O5S/c1-14-8-10-16(11-9-14)20-18(23)13-21(2)19(24)15-6-5-7-17(12-15)28(25,26)22(3)27-4/h5-12H,13H2,1-4H3,(H,20,23)
InChIKeyZWPDIIPLKGDSSR-UHFFFAOYSA-N
XLogP1.89
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 27793329
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 27227245
N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 46415026
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9440801
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26560772
N-(2-anilino-2-oxoethyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46415007
4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide
CID 9493691
3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328562
N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 9375200
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-methyl-3-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9219104
3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 2504240

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide (CID 9374642) is 3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is ZWPDIIPLKGDSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-14-8-10-16(11-9-14)20-18(23)13-21(2)19(24)15-6-5-7-17(12-15)28(25,26)22(3)27-4/h5-12H,13H2,1-4H3,(H,20,23).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 405.48 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9374642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).