N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C23H24N2O5S2 — CID 55613605

IUPACN-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-4-31(27,28)22-8-6-5-7-21(22)24-23(26)18-11-13-19(14-12-18)25(3)32(29,30)20-15-9-17(2)10-16-20/h5-16H,4H2,1-3H3,(H,24,26)
InChIKeyKDCFBCQEOBIQDA-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.87
Rot. Bonds7

About N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 55613605) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID55613605
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC NameN-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-4-31(27,28)22-8-6-5-7-21(22)24-23(26)18-11-13-19(14-12-18)25(3)32(29,30)20-15-9-17(2)10-16-20/h5-16H,4H2,1-3H3,(H,24,26)
InChIKeyKDCFBCQEOBIQDA-UHFFFAOYSA-N
XLogP3.87
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26067652
N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611
N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26180986
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525403
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide
CID 1289635
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700622
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 55613605) is N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is KDCFBCQEOBIQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-4-31(27,28)22-8-6-5-7-21(22)24-23(26)18-11-13-19(14-12-18)25(3)32(29,30)20-15-9-17(2)10-16-20/h5-16H,4H2,1-3H3,(H,24,26).
What are the key properties of N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 472.59 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55613605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).