3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

C19H23N3O4S2 — CID 2526937

IUPAC3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O4S2/c1-21(2)28(25,26)15-9-7-8-14(12-15)19(24)22(3)13-18(23)20-16-10-5-6-11-17(16)27-4/h5-12H,13H2,1-4H3,(H,20,23)
InChIKeyFQSMGTVSPHACFJ-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.37
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (PubChem CID 2526937) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
PubChem CID2526937
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Name3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O4S2/c1-21(2)28(25,26)15-9-7-8-14(12-15)19(24)22(3)13-18(23)20-16-10-5-6-11-17(16)27-4/h5-12H,13H2,1-4H3,(H,20,23)
InChIKeyFQSMGTVSPHACFJ-UHFFFAOYSA-N
XLogP2.37
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 558837
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide
CID 892408
N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2315073
N-cyclopentyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2358978
2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2461859
4-(4-Methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 2526913
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4846487
4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 6461347
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 16318701
2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
CID 1085635
3-[(diethylamino)sulfonyl]-N-(3-methylphenyl)benzamide
CID 789345
3-(cyclopentylsulfamoyl)-N-phenylbenzamide
CID 793738

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (CID 2526937) is 3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is CSc1ccccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The InChIKey is FQSMGTVSPHACFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-21(2)28(25,26)15-9-7-8-14(12-15)19(24)22(3)13-18(23)20-16-10-5-6-11-17(16)27-4/h5-12H,13H2,1-4H3,(H,20,23).
What are the key properties of 3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide has a molecular weight of 421.54 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 2526937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).