4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide

C23H23N3O4S — CID 24672701

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCc3cccnc3)cc2)cc1
InChIInChI=1S/C23H23N3O4S/c1-17(27)20-8-10-22(11-9-20)31(29,30)26-16-19-4-6-21(7-5-19)23(28)25-14-12-18-3-2-13-24-15-18/h2-11,13,15,26H,12,14,16H2,1H3,(H,25,28)
InChIKeyAYKBSSJGIAPGLA-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.74
Rot. Bonds9

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 24672701) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID24672701
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCc3cccnc3)cc2)cc1
InChIInChI=1S/C23H23N3O4S/c1-17(27)20-8-10-22(11-9-20)31(29,30)26-16-19-4-6-21(7-5-19)23(28)25-14-12-18-3-2-13-24-15-18/h2-11,13,15,26H,12,14,16H2,1H3,(H,25,28)
InChIKeyAYKBSSJGIAPGLA-UHFFFAOYSA-N
XLogP2.74
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 36866769
4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 70717840
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 55729309
N,N-dipropyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060934
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 24661271
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55728144

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide (CID 24672701) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is AYKBSSJGIAPGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-17(27)20-8-10-22(11-9-20)31(29,30)26-16-19-4-6-21(7-5-19)23(28)25-14-12-18-3-2-13-24-15-18/h2-11,13,15,26H,12,14,16H2,1H3,(H,25,28).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 437.52 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 24672701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).