N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide

C23H21N5O5S — CID 1184608

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)n1
InChIInChI=1S/C23H21N5O5S/c1-14-13-15(2)25-23(24-14)27-34(32,33)19-9-5-17(6-10-19)26-22(31)16-3-7-18(8-4-16)28-20(29)11-12-21(28)30/h3-10,13H,11-12H2,1-2H3,(H,26,31)(H,24,25,27)
InChIKeyJNDAJVHXDZJEIX-UHFFFAOYSA-N
MW479.52 g/mol
LogP2.80
Rot. Bonds6

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 1184608) has the molecular formula C23H21N5O5S and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID1184608
Molecular FormulaC23H21N5O5S
Molecular Weight479.52 g/mol
Exact Mass479.13
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)n1
InChIInChI=1S/C23H21N5O5S/c1-14-13-15(2)25-23(24-14)27-34(32,33)19-9-5-17(6-10-19)26-22(31)16-3-7-18(8-4-16)28-20(29)11-12-21(28)30/h3-10,13H,11-12H2,1-2H3,(H,26,31)(H,24,25,27)
InChIKeyJNDAJVHXDZJEIX-UHFFFAOYSA-N
XLogP2.80
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 1184608) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is JNDAJVHXDZJEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5S/c1-14-13-15(2)25-23(24-14)27-34(32,33)19-9-5-17(6-10-19)26-22(31)16-3-7-18(8-4-16)28-20(29)11-12-21(28)30/h3-10,13H,11-12H2,1-2H3,(H,26,31)(H,24,25,27).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 479.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 1184608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).