3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide

C15H18N6O6S — CID 139894727

IUPAC3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C15H18N6O6S/c1-16-13(22)9-5-4-6-10(7-9)20-28(24,25)21-15(23)19-14-17-11(26-2)8-12(18-14)27-3/h4-8,20H,1-3H3,(H,16,22)(H2,17,18,19,21,23)
InChIKeyIIEZCPZZHXVVEM-UHFFFAOYSA-N
MW410.41 g/mol
LogP0.33
Rot. Bonds7

About 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide

3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide (PubChem CID 139894727) has the molecular formula C15H18N6O6S and a molecular weight of 410.41 g/mol. Its IUPAC name is 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide
PubChem CID139894727
Molecular FormulaC15H18N6O6S
Molecular Weight410.41 g/mol
Exact Mass410.10
IUPAC Name3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C15H18N6O6S/c1-16-13(22)9-5-4-6-10(7-9)20-28(24,25)21-15(23)19-14-17-11(26-2)8-12(18-14)27-3/h4-8,20H,1-3H3,(H,16,22)(H2,17,18,19,21,23)
InChIKeyIIEZCPZZHXVVEM-UHFFFAOYSA-N
XLogP0.33
TPSA160.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)sulfamoyl]urea
CID 21478088
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
CID 18934187
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea
CID 14421814
N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107689719
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
N-methyl-3-[(2-methylphenyl)sulfonylcarbamoylamino]benzamide
CID 22564924
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)sulfonyl]urea
CID 13455423

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide?
The IUPAC name of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide (CID 139894727) is 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide is CNC(=O)c1cccc(NS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1.
What is the InChIKey of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide?
The InChIKey is IIEZCPZZHXVVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O6S/c1-16-13(22)9-5-4-6-10(7-9)20-28(24,25)21-15(23)19-14-17-11(26-2)8-12(18-14)27-3/h4-8,20H,1-3H3,(H,16,22)(H2,17,18,19,21,23).
What are the key properties of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide?
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide has a molecular weight of 410.41 g/mol, XLogP of 0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N-methylbenzamide is sourced from PubChem (CID 139894727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).