N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide

C18H20N6O3S — CID 1120173

IUPACN-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C18H20N6O3S/c1-11-10-17(24-13(3)9-12(2)22-24)21-18(19-11)23-28(26,27)16-7-5-15(6-8-16)20-14(4)25/h5-10H,1-4H3,(H,20,25)(H,19,21,23)
InChIKeyDLKNBBBRTLLJSJ-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.35
Rot. Bonds5

About N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 1120173) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID1120173
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC NameN-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C18H20N6O3S/c1-11-10-17(24-13(3)9-12(2)22-24)21-18(19-11)23-28(26,27)16-7-5-15(6-8-16)20-14(4)25/h5-10H,1-4H3,(H,20,25)(H,19,21,23)
InChIKeyDLKNBBBRTLLJSJ-UHFFFAOYSA-N
XLogP2.35
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide (CID 1120173) is N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1.
What is the InChIKey of N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is DLKNBBBRTLLJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-11-10-17(24-13(3)9-12(2)22-24)21-18(19-11)23-28(26,27)16-7-5-15(6-8-16)20-14(4)25/h5-10H,1-4H3,(H,20,25)(H,19,21,23).
What are the key properties of N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 400.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1120173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).