sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide

C16H17N4NaO8S — CID 155567264

IUPACsodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide
SMILESCCOC(=O)c1ccccc1OS(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]
InChIInChI=1S/C16H18N4O8S.Na/c1-4-27-14(21)10-7-5-6-8-11(10)28-29(23,24)20-16(22)19-15-17-12(25-2)9-13(18-15)26-3;/h5-9H,4H2,1-3H3,(H2,17,18,19,20,22);/q;+1/p-1
InChIKeyXYDDHXVUMUFXLI-UHFFFAOYSA-M
MW448.39 g/mol
LogP-1.10
Rot. Bonds8

About sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide

sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide (PubChem CID 155567264) has the molecular formula C16H17N4NaO8S and a molecular weight of 448.39 g/mol. Its IUPAC name is sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide.

Molecular Properties

Compound Namesodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide
PubChem CID155567264
Molecular FormulaC16H17N4NaO8S
Molecular Weight448.39 g/mol
Exact Mass448.07
IUPAC Namesodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide
SMILESCCOC(=O)c1ccccc1OS(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+]
InChIInChI=1S/C16H18N4O8S.Na/c1-4-27-14(21)10-7-5-6-8-11(10)28-29(23,24)20-16(22)19-15-17-12(25-2)9-13(18-15)26-3;/h5-9H,4H2,1-3H3,(H2,17,18,19,20,22);/q;+1/p-1
InChIKeyXYDDHXVUMUFXLI-UHFFFAOYSA-M
XLogP-1.10
TPSA157.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-[2-(2-iodoethoxycarbonyl)phenoxy]sulfonylazanide
CID 155526522
sodium (4-chloro-6-methoxypyrimidin-2-yl)carbamoyl-(2-phenoxycarbonylphenoxy)sulfonylazanide
CID 155562535
2,2,2-trifluoroethyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]benzoate
CID 15616174
ethyl 2-[(4-fluoro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 14721641
propyl 2-[(4-bromo-6-methoxypyrimidin-2-yl)carbamoylsulfamoyloxy]benzoate
CID 155546841
N-(4-chloro-6-methoxypyrimidin-2-yl)-N'-(2-ethoxycarbonylphenyl)sulfonylcarbamimidate
CID 162370964
(2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 142770123
phenyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]benzoate
CID 155521795
(2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate
CID 20762994
ethyl 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-(pyridin-2-ylmethyl)pyrazole-4-carboxylate
CID 19839496
sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[5-(methanesulfonamidomethyl)-2-methoxycarbonylphenyl]sulfonylazanide
CID 139776246
ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methoxypyrazole-4-carboxylate
CID 139620302

Frequently Asked Questions

What is the IUPAC name of sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide?
The IUPAC name of sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide (CID 155567264) is sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide.
What is the SMILES notation for sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide?
The canonical SMILES for sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide is CCOC(=O)c1ccccc1OS(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1.[Na+].
What is the InChIKey of sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide?
The InChIKey is XYDDHXVUMUFXLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18N4O8S.Na/c1-4-27-14(21)10-7-5-6-8-11(10)28-29(23,24)20-16(22)19-15-17-12(25-2)9-13(18-15)26-3;/h5-9H,4H2,1-3H3,(H2,17,18,19,20,22);/q;+1/p-1.
What are the key properties of sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide?
sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide has a molecular weight of 448.39 g/mol, XLogP of -1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide is sourced from PubChem (CID 155567264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).