N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide

C18H20N6O5S — CID 19526453

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)Cn3cc(C)cn3)cc2)nc(OC)n1
InChIInChI=1S/C18H20N6O5S/c1-12-9-19-24(10-12)11-16(25)20-13-4-6-14(7-5-13)30(26,27)23-15-8-17(28-2)22-18(21-15)29-3/h4-10H,11H2,1-3H3,(H,20,25)(H,21,22,23)
InChIKeyAHWDCCVKNVVKQM-UHFFFAOYSA-N
MW432.46 g/mol
LogP1.44
Rot. Bonds8

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 19526453) has the molecular formula C18H20N6O5S and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID19526453
Molecular FormulaC18H20N6O5S
Molecular Weight432.46 g/mol
Exact Mass432.12
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)Cn3cc(C)cn3)cc2)nc(OC)n1
InChIInChI=1S/C18H20N6O5S/c1-12-9-19-24(10-12)11-16(25)20-13-4-6-14(7-5-13)30(26,27)23-15-8-17(28-2)22-18(21-15)29-3/h4-10H,11H2,1-3H3,(H,20,25)(H,21,22,23)
InChIKeyAHWDCCVKNVVKQM-UHFFFAOYSA-N
XLogP1.44
TPSA137.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 19526453) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)Cn3cc(C)cn3)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is AHWDCCVKNVVKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O5S/c1-12-9-19-24(10-12)11-16(25)20-13-4-6-14(7-5-13)30(26,27)23-15-8-17(28-2)22-18(21-15)29-3/h4-10H,11H2,1-3H3,(H,20,25)(H,21,22,23).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 432.46 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19526453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).