(2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate

C15H17N3O8S — CID 142770123

IUPAC(2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
SMILESCCOc1ccccc1OS(=O)(=O)OC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H17N3O8S/c1-4-24-10-7-5-6-8-11(10)25-27(20,21)26-15(19)18-14-16-12(22-2)9-13(17-14)23-3/h5-9H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyYBZBHJVRDZRQBD-UHFFFAOYSA-N
MW399.38 g/mol
LogP1.76
Rot. Bonds8

About (2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate

(2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate (PubChem CID 142770123) has the molecular formula C15H17N3O8S and a molecular weight of 399.38 g/mol. Its IUPAC name is (2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate.

Molecular Properties

Compound Name(2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
PubChem CID142770123
Molecular FormulaC15H17N3O8S
Molecular Weight399.38 g/mol
Exact Mass399.07
IUPAC Name(2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
SMILESCCOc1ccccc1OS(=O)(=O)OC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H17N3O8S/c1-4-24-10-7-5-6-8-11(10)25-27(20,21)26-15(19)18-14-16-12(22-2)9-13(17-14)23-3/h5-9H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyYBZBHJVRDZRQBD-UHFFFAOYSA-N
XLogP1.76
TPSA135.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

(2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate
CID 20762994
[2-(2-chloroethoxy)phenyl] N-[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamate
CID 155547539
sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-(2-ethoxycarbonylphenoxy)sulfonylazanide
CID 155567264
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
phenyl N-(4-ethyl-6-methoxypyrimidin-2-yl)carbamate
CID 21467947
phenyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]benzoate
CID 155521795
N-(4-chloro-6-methoxypyrimidin-2-yl)-N'-(2-ethoxycarbonylphenyl)sulfonylcarbamimidate
CID 162370964
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
2-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 23177681
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
CID 18934187
propyl 2-[(4-bromo-6-methoxypyrimidin-2-yl)carbamoylsulfamoyloxy]benzoate
CID 155546841

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
The IUPAC name of (2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate (CID 142770123) is (2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate.
What is the SMILES notation for (2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
The canonical SMILES for (2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate is CCOc1ccccc1OS(=O)(=O)OC(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of (2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
The InChIKey is YBZBHJVRDZRQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O8S/c1-4-24-10-7-5-6-8-11(10)25-27(20,21)26-15(19)18-14-16-12(22-2)9-13(17-14)23-3/h5-9H,4H2,1-3H3,(H,16,17,18,19).
What are the key properties of (2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
(2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate has a molecular weight of 399.38 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate is sourced from PubChem (CID 142770123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).