N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C23H21N3O4S — CID 55800306

IUPACN-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(OCC#N)c3)cc2)cc1
InChIInChI=1S/C23H21N3O4S/c1-17-6-12-22(13-7-17)31(28,29)26(2)20-10-8-18(9-11-20)23(27)25-19-4-3-5-21(16-19)30-15-14-24/h3-13,16H,15H2,1-2H3,(H,25,27)
InChIKeyAFPPYJUYYXQCLR-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.97
Rot. Bonds7

About N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 55800306) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID55800306
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(OCC#N)c3)cc2)cc1
InChIInChI=1S/C23H21N3O4S/c1-17-6-12-22(13-7-17)31(28,29)26(2)20-10-8-18(9-11-20)23(27)25-19-4-3-5-21(16-19)30-15-14-24/h3-13,16H,15H2,1-2H3,(H,25,27)
InChIKeyAFPPYJUYYXQCLR-UHFFFAOYSA-N
XLogP3.97
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
4-(chloromethyl)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43699575
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 55752004
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787848

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 55800306) is N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(OCC#N)c3)cc2)cc1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is AFPPYJUYYXQCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-17-6-12-22(13-7-17)31(28,29)26(2)20-10-8-18(9-11-20)23(27)25-19-4-3-5-21(16-19)30-15-14-24/h3-13,16H,15H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 435.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55800306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).