N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C22H19N5O5S — CID 1182742

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C22H19N5O5S/c1-13-11-14(2)24-22(23-13)26-33(31,32)16-9-7-15(8-10-16)25-19(28)12-27-20(29)17-5-3-4-6-18(17)21(27)30/h3-11H,12H2,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyJSRNFGRCNGJNSM-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.13
Rot. Bonds6

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 1182742) has the molecular formula C22H19N5O5S and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID1182742
Molecular FormulaC22H19N5O5S
Molecular Weight465.49 g/mol
Exact Mass465.11
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C22H19N5O5S/c1-13-11-14(2)24-22(23-13)26-33(31,32)16-9-7-15(8-10-16)25-19(28)12-27-20(29)17-5-3-4-6-18(17)21(27)30/h3-11H,12H2,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyJSRNFGRCNGJNSM-UHFFFAOYSA-N
XLogP2.13
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.13
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]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 1182742) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is JSRNFGRCNGJNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5S/c1-13-11-14(2)24-22(23-13)26-33(31,32)16-9-7-15(8-10-16)25-19(28)12-27-20(29)17-5-3-4-6-18(17)21(27)30/h3-11H,12H2,1-2H3,(H,25,28)(H,23,24,26).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 465.49 g/mol, XLogP of 2.13, 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]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 1182742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).