3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide

C24H26N2O3S — CID 132666889

IUPAC3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)cc1
InChIInChI=1S/C24H26N2O3S/c1-17-11-13-20(14-12-17)19(3)25-24(27)21-8-6-10-23(16-21)30(28,29)26(4)22-9-5-7-18(2)15-22/h5-16,19H,1-4H3,(H,25,27)
InChIKeyBBNUEADVKWSESU-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.62
Rot. Bonds6

About 3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide

3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 132666889) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID132666889
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)cc1
InChIInChI=1S/C24H26N2O3S/c1-17-11-13-20(14-12-17)19(3)25-24(27)21-8-6-10-23(16-21)30(28,29)26(4)22-9-5-7-18(2)15-22/h5-16,19H,1-4H3,(H,25,27)
InChIKeyBBNUEADVKWSESU-UHFFFAOYSA-N
XLogP4.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 125043107
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 125086770
N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9481851
3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436913
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733491
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 132673967
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 133231354
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide (CID 132666889) is 3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)cc1.
What is the InChIKey of 3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is BBNUEADVKWSESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17-11-13-20(14-12-17)19(3)25-24(27)21-8-6-10-23(16-21)30(28,29)26(4)22-9-5-7-18(2)15-22/h5-16,19H,1-4H3,(H,25,27).
What are the key properties of 3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide?
3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 132666889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).