N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide

C24H26N2O4S — CID 17308519

IUPACN-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(OCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)c1
InChIInChI=1S/C24H26N2O4S/c1-17-13-18(2)15-21(14-17)25-24(27)20-7-9-22(10-8-20)30-16-19-5-11-23(12-6-19)31(28,29)26(3)4/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyOTQNOCMDRVCEPP-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.39
Rot. Bonds7

About N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide

N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide (PubChem CID 17308519) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide
PubChem CID17308519
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(OCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)c1
InChIInChI=1S/C24H26N2O4S/c1-17-13-18(2)15-21(14-17)25-24(27)20-7-9-22(10-8-20)30-16-19-5-11-23(12-6-19)31(28,29)26(3)4/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyOTQNOCMDRVCEPP-UHFFFAOYSA-N
XLogP4.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
4-[cyclopropyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)benzamide
CID 41364081
4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685715
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 4264331
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethylphenyl)benzamide
CID 5200570
4-[(2-chlorophenyl)methoxy]-N-(3,5-dimethylphenyl)benzamide
CID 8813300
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide (CID 17308519) is N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide is Cc1cc(C)cc(NC(=O)c2ccc(OCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide?
The InChIKey is OTQNOCMDRVCEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17-13-18(2)15-21(14-17)25-24(27)20-7-9-22(10-8-20)30-16-19-5-11-23(12-6-19)31(28,29)26(3)4/h5-15H,16H2,1-4H3,(H,25,27).
What are the key properties of N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide?
N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 17308519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).