(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate

C15H18N4O7S — CID 3623881

IUPAC(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate
SMILESCCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyUWVKRNOCDUPIDM-UHFFFAOYSA-N
MW398.40 g/mol
LogP1.34
Rot. Bonds8

About (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate

(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate (PubChem CID 3623881) has the molecular formula C15H18N4O7S and a molecular weight of 398.40 g/mol. Its IUPAC name is (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate.

Molecular Properties

Compound Name(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate
PubChem CID3623881
Molecular FormulaC15H18N4O7S
Molecular Weight398.40 g/mol
Exact Mass398.09
IUPAC Name(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate
SMILESCCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyUWVKRNOCDUPIDM-UHFFFAOYSA-N
XLogP1.34
TPSA137.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate?
The IUPAC name of (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate (CID 3623881) is (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate.
What is the SMILES notation for (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate?
The canonical SMILES for (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate is CCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate?
The InChIKey is UWVKRNOCDUPIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate?
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate has a molecular weight of 398.40 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate is sourced from PubChem (CID 3623881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).