3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide

C21H27N3O4S — CID 39131564

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C21H27N3O4S/c1-13(2)20(25)22-17-8-7-9-18(12-17)23-21(26)16-10-14(3)15(4)19(11-16)29(27,28)24(5)6/h7-13H,1-6H3,(H,22,25)(H,23,26)
InChIKeyISEOVAPHPSFASU-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.40
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 39131564) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID39131564
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C21H27N3O4S/c1-13(2)20(25)22-17-8-7-9-18(12-17)23-21(26)16-10-14(3)15(4)19(11-16)29(27,28)24(5)6/h7-13H,1-6H3,(H,22,25)(H,23,26)
InChIKeyISEOVAPHPSFASU-UHFFFAOYSA-N
XLogP3.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide
CID 51337793
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
CID 42370271
N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 26701236
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 55833213
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26701226
N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34273541
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609831
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55782703
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide
CID 39098073
3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 17189296
N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55917241
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39130989

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide (CID 39131564) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide is Cc1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is ISEOVAPHPSFASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-13(2)20(25)22-17-8-7-9-18(12-17)23-21(26)16-10-14(3)15(4)19(11-16)29(27,28)24(5)6/h7-13H,1-6H3,(H,22,25)(H,23,26).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 39131564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).