2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C17H17N5O5S — CID 2147412

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)CCC3=O)cc2)n1
InChIInChI=1S/C17H17N5O5S/c1-11-8-9-18-17(19-11)21-28(26,27)13-4-2-12(3-5-13)20-14(23)10-22-15(24)6-7-16(22)25/h2-5,8-9H,6-7,10H2,1H3,(H,20,23)(H,18,19,21)
InChIKeyRWFYIBIZNJNYLL-UHFFFAOYSA-N
MW403.42 g/mol
LogP0.67
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 2147412) has the molecular formula C17H17N5O5S and a molecular weight of 403.42 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID2147412
Molecular FormulaC17H17N5O5S
Molecular Weight403.42 g/mol
Exact Mass403.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)CCC3=O)cc2)n1
InChIInChI=1S/C17H17N5O5S/c1-11-8-9-18-17(19-11)21-28(26,27)13-4-2-12(3-5-13)20-14(23)10-22-15(24)6-7-16(22)25/h2-5,8-9H,6-7,10H2,1H3,(H,20,23)(H,18,19,21)
InChIKeyRWFYIBIZNJNYLL-UHFFFAOYSA-N
XLogP0.67
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 2147412) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)CCC3=O)cc2)n1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is RWFYIBIZNJNYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5S/c1-11-8-9-18-17(19-11)21-28(26,27)13-4-2-12(3-5-13)20-14(23)10-22-15(24)6-7-16(22)25/h2-5,8-9H,6-7,10H2,1H3,(H,20,23)(H,18,19,21).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 403.42 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2147412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).