3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide

C24H24N2O4S — CID 4296213

IUPAC3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide
SMILESCC(=O)Nc1cc(C(=O)N(C)Cc2ccccc2)ccc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H24N2O4S/c1-17-9-12-21(13-10-17)31(29,30)23-14-11-20(15-22(23)25-18(2)27)24(28)26(3)16-19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,25,27)
InChIKeyHBNAJXKKHCZUMJ-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.06
Rot. Bonds6

About 3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide

3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide (PubChem CID 4296213) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide
PubChem CID4296213
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide
SMILESCC(=O)Nc1cc(C(=O)N(C)Cc2ccccc2)ccc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H24N2O4S/c1-17-9-12-21(13-10-17)31(29,30)23-14-11-20(15-22(23)25-18(2)27)24(28)26(3)16-19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,25,27)
InChIKeyHBNAJXKKHCZUMJ-UHFFFAOYSA-N
XLogP4.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide (CID 4296213) is 3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide is CC(=O)Nc1cc(C(=O)N(C)Cc2ccccc2)ccc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is HBNAJXKKHCZUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-17-9-12-21(13-10-17)31(29,30)23-14-11-20(15-22(23)25-18(2)27)24(28)26(3)16-19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,25,27).
What are the key properties of 3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide?
3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 436.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-benzyl-N-methyl-4-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 4296213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).