3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide

C25H28N2O4S — CID 55887044

IUPAC3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3C)c2)cc1
InChIInChI=1S/C25H28N2O4S/c1-17(2)31-22-13-14-24(19(4)15-22)26-25(28)20-7-6-8-23(16-20)32(29,30)27(5)21-11-9-18(3)10-12-21/h6-17H,1-5H3,(H,26,28)
InChIKeyVRGIOJZEYLZVOE-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.17
Rot. Bonds7

About 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide

3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide (PubChem CID 55887044) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
PubChem CID55887044
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3C)c2)cc1
InChIInChI=1S/C25H28N2O4S/c1-17(2)31-22-13-14-24(19(4)15-22)26-25(28)20-7-6-8-23(16-20)32(29,30)27(5)21-11-9-18(3)10-12-21/h6-17H,1-5H3,(H,26,28)
InChIKeyVRGIOJZEYLZVOE-UHFFFAOYSA-N
XLogP5.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39130989
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
N-(3-fluoro-4-methylphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 7962924
N-(2,5-difluorophenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2711426
N-(2-methyl-4-propan-2-yloxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55888323
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 38448547
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 125043107
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861334
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609521
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide (CID 55887044) is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3C)c2)cc1.
What is the InChIKey of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
The InChIKey is VRGIOJZEYLZVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-17(2)31-22-13-14-24(19(4)15-22)26-25(28)20-7-6-8-23(16-20)32(29,30)27(5)21-11-9-18(3)10-12-21/h6-17H,1-5H3,(H,26,28).
What are the key properties of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide has a molecular weight of 452.58 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 55887044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).