4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide

C19H25N3O3S — CID 46349145

IUPAC4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(N(C)C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14-6-8-15(9-7-14)13-20-19(23)16-10-11-17(21(2)3)18(12-16)26(24,25)22(4)5/h6-12H,13H2,1-5H3,(H,20,23)
InChIKeyZTZSGBKESOIGOP-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.24
Rot. Bonds6

About 4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide

4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 46349145) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
PubChem CID46349145
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(N(C)C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14-6-8-15(9-7-14)13-20-19(23)16-10-11-17(21(2)3)18(12-16)26(24,25)22(4)5/h6-12H,13H2,1-5H3,(H,20,23)
InChIKeyZTZSGBKESOIGOP-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
CID 55611853
4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid
CID 99988945
4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052704
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115
4-chloro-3-(dimethylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 33305283
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 53139373
4-bromo-3-(dimethylsulfamoyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29333465
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 43043512

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide (CID 46349145) is 4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(N(C)C)c(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is ZTZSGBKESOIGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-6-8-15(9-7-14)13-20-19(23)16-10-11-17(21(2)3)18(12-16)26(24,25)22(4)5/h6-12H,13H2,1-5H3,(H,20,23).
What are the key properties of 4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide?
4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 46349145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).