3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide

C19H23N3O4S — CID 18114783

IUPAC3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccccc1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O4S/c1-14-7-4-5-8-16(14)12-20-18(23)13-21-19(24)15-9-6-10-17(11-15)27(25,26)22(2)3/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyLBHNGAGCLCJOON-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.29
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide

3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 18114783) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID18114783
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccccc1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O4S/c1-14-7-4-5-8-16(14)12-20-18(23)13-21-19(24)15-9-6-10-17(11-15)27(25,26)22(2)3/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyLBHNGAGCLCJOON-UHFFFAOYSA-N
XLogP1.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 24548643
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
3-(dimethylsulfamoyl)-N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30873014
3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
CID 8623572
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide
CID 55483864
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 9104218
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide (CID 18114783) is 3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide is Cc1ccccc1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is LBHNGAGCLCJOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-7-4-5-8-16(14)12-20-18(23)13-21-19(24)15-9-6-10-17(11-15)27(25,26)22(2)3/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18114783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).