N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C19H18N6O4S — CID 660842

IUPACN-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3n(n2)C(c2ccccc2)CC(=O)N3)cc1
InChIInChI=1S/C19H18N6O4S/c1-12(26)20-14-7-9-15(10-8-14)30(28,29)24-18-22-19-21-17(27)11-16(25(19)23-18)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,20,26)(H2,21,22,23,24,27)
InChIKeyOSSFHLRWPVLIHT-UHFFFAOYSA-N
MW426.46 g/mol
LogP1.97
Rot. Bonds5

About N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide

N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 660842) has the molecular formula C19H18N6O4S and a molecular weight of 426.46 g/mol. Its IUPAC name is N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID660842
Molecular FormulaC19H18N6O4S
Molecular Weight426.46 g/mol
Exact Mass426.11
IUPAC NameN-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3n(n2)C(c2ccccc2)CC(=O)N3)cc1
InChIInChI=1S/C19H18N6O4S/c1-12(26)20-14-7-9-15(10-8-14)30(28,29)24-18-22-19-21-17(27)11-16(25(19)23-18)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,20,26)(H2,21,22,23,24,27)
InChIKeyOSSFHLRWPVLIHT-UHFFFAOYSA-N
XLogP1.97
TPSA135.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 660842) is N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3n(n2)C(c2ccccc2)CC(=O)N3)cc1.
What is the InChIKey of N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is OSSFHLRWPVLIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4S/c1-12(26)20-14-7-9-15(10-8-14)30(28,29)24-18-22-19-21-17(27)11-16(25(19)23-18)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,20,26)(H2,21,22,23,24,27).
What are the key properties of N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 426.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 660842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).