N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C23H23N3O4S — CID 41283239

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCc1cc(C)c(CNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c(=O)[nH]1
InChIInChI=1S/C23H23N3O4S/c1-16-14-17(2)25-23(28)21(16)15-24-22(27)19-8-10-20(11-9-19)26-31(29,30)13-12-18-6-4-3-5-7-18/h3-14,26H,15H2,1-2H3,(H,24,27)(H,25,28)/b13-12+
InChIKeyMIMMKXUUAOCCBR-OUKQBFOZSA-N
MW437.52 g/mol
LogP3.33
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 41283239) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID41283239
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCc1cc(C)c(CNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c(=O)[nH]1
InChIInChI=1S/C23H23N3O4S/c1-16-14-17(2)25-23(28)21(16)15-24-22(27)19-8-10-20(11-9-19)26-31(29,30)13-12-18-6-4-3-5-7-18/h3-14,26H,15H2,1-2H3,(H,24,27)(H,25,28)/b13-12+
InChIKeyMIMMKXUUAOCCBR-OUKQBFOZSA-N
XLogP3.33
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 41283239) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is Cc1cc(C)c(CNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is MIMMKXUUAOCCBR-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-16-14-17(2)25-23(28)21(16)15-24-22(27)19-8-10-20(11-9-19)26-31(29,30)13-12-18-6-4-3-5-7-18/h3-14,26H,15H2,1-2H3,(H,24,27)(H,25,28)/b13-12+.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 437.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 41283239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).