N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide

C23H22N2O4S — CID 5175409

IUPACN-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc(C)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H22N2O4S/c1-16-8-12-20(13-9-16)30(28,29)15-22(26)24-19-11-10-17(2)21(14-19)25-23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCMYGKJDNHUINGS-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.97
Rot. Bonds6

About N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide

N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide (PubChem CID 5175409) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide
PubChem CID5175409
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc(C)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H22N2O4S/c1-16-8-12-20(13-9-16)30(28,29)15-22(26)24-19-11-10-17(2)21(14-19)25-23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCMYGKJDNHUINGS-UHFFFAOYSA-N
XLogP3.97
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide
CID 2966880
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
CID 139878369
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700509
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 5166921
2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3686927
2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide
CID 7543832
2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
CID 3937721

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide (CID 5175409) is N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(C)c(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide?
The InChIKey is CMYGKJDNHUINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-16-8-12-20(13-9-16)30(28,29)15-22(26)24-19-11-10-17(2)21(14-19)25-23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide?
N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide has a molecular weight of 422.51 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide is sourced from PubChem (CID 5175409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).