N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C15H15N5O3S — CID 777142

IUPACN-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C#N)c2nc(C)cc(C)n2)cc1
InChIInChI=1S/C15H15N5O3S/c1-10-8-11(2)18-15(17-10)20(9-16)24(22,23)14-6-4-13(5-7-14)19-12(3)21/h4-8H,1-3H3,(H,19,21)
InChIKeyNXYYSVOFNWOMLV-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.73
Rot. Bonds4

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

N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 777142) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID777142
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C#N)c2nc(C)cc(C)n2)cc1
InChIInChI=1S/C15H15N5O3S/c1-10-8-11(2)18-15(17-10)20(9-16)24(22,23)14-6-4-13(5-7-14)19-12(3)21/h4-8H,1-3H3,(H,19,21)
InChIKeyNXYYSVOFNWOMLV-UHFFFAOYSA-N
XLogP1.73
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 777142) is N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C#N)c2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is NXYYSVOFNWOMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-10-8-11(2)18-15(17-10)20(9-16)24(22,23)14-6-4-13(5-7-14)19-12(3)21/h4-8H,1-3H3,(H,19,21).
What are the key properties of N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyano-(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 777142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).