N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C19H23N3O4S — CID 17413733

IUPACN-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCNC(=O)CN(C)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-14-5-11-17(12-6-14)27(25,26)22(4)16-9-7-15(8-10-16)19(24)21(3)13-18(23)20-2/h5-12H,13H2,1-4H3,(H,20,23)
InChIKeySTHYLJVCQLBENM-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.64
Rot. Bonds6

About N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 17413733) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID17413733
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCNC(=O)CN(C)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-14-5-11-17(12-6-14)27(25,26)22(4)16-9-7-15(8-10-16)19(24)21(3)13-18(23)20-2/h5-12H,13H2,1-4H3,(H,20,23)
InChIKeySTHYLJVCQLBENM-UHFFFAOYSA-N
XLogP1.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate
CID 37417742
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 170903973
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide
CID 126143327
N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 26899681
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26560772
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26722152
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 55422664
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172029
4-[methyl-(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 62970870
N-[(3-cyanophenyl)methyl]-N-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 32590677

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 17413733) is N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is CNC(=O)CN(C)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is STHYLJVCQLBENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-5-11-17(12-6-14)27(25,26)22(4)16-9-7-15(8-10-16)19(24)21(3)13-18(23)20-2/h5-12H,13H2,1-4H3,(H,20,23).
What are the key properties of N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 17413733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).