3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide

C20H20N4O5S — CID 166327241

IUPAC3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N(C)OC)c3)ncn2)cc1
InChIInChI=1S/C20H20N4O5S/c1-24(29-3)30(26,27)17-6-4-5-15(11-17)20(25)23-19-12-18(21-13-22-19)14-7-9-16(28-2)10-8-14/h4-13H,1-3H3,(H,21,22,23,25)
InChIKeyZQGNMTUNQJLUIP-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.59
Rot. Bonds7

About 3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide

3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide (PubChem CID 166327241) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
PubChem CID166327241
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N(C)OC)c3)ncn2)cc1
InChIInChI=1S/C20H20N4O5S/c1-24(29-3)30(26,27)17-6-4-5-15(11-17)20(25)23-19-12-18(21-13-22-19)14-7-9-16(28-2)10-8-14/h4-13H,1-3H3,(H,21,22,23,25)
InChIKeyZQGNMTUNQJLUIP-UHFFFAOYSA-N
XLogP2.59
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
CID 166327273
3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327278
methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate
CID 155970115
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55976049
3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534346
2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327245
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030
2-(4-methoxyphenoxy)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 166327221
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide (CID 166327241) is 3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide is COc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N(C)OC)c3)ncn2)cc1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The InChIKey is ZQGNMTUNQJLUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-24(29-3)30(26,27)17-6-4-5-15(11-17)20(25)23-19-12-18(21-13-22-19)14-7-9-16(28-2)10-8-14/h4-13H,1-3H3,(H,21,22,23,25).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide has a molecular weight of 428.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 166327241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).