(2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate

C15H18N4O6S — CID 20762994

IUPAC(2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate
SMILESCCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C15H18N4O6S/c1-4-24-11-7-5-6-8-12(11)25-26(21,22)19-15(20)18-14-16-10(2)9-13(17-14)23-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyRGOUZAOKTRBZJO-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.64
Rot. Bonds7

About (2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate

(2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate (PubChem CID 20762994) has the molecular formula C15H18N4O6S and a molecular weight of 382.40 g/mol. Its IUPAC name is (2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate.

Molecular Properties

Compound Name(2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate
PubChem CID20762994
Molecular FormulaC15H18N4O6S
Molecular Weight382.40 g/mol
Exact Mass382.09
IUPAC Name(2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate
SMILESCCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C15H18N4O6S/c1-4-24-11-7-5-6-8-12(11)25-26(21,22)19-15(20)18-14-16-10(2)9-13(17-14)23-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyRGOUZAOKTRBZJO-UHFFFAOYSA-N
XLogP1.64
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-chloroethoxy)phenyl] N-[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamate
CID 155547539
(2-ethoxyphenoxy)sulfonyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 142770123
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2-prop-2-ynoxyphenyl)sulfonylurea
CID 13472956
phenyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]benzoate
CID 155521795
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
propyl 2-[(4-bromo-6-methoxypyrimidin-2-yl)carbamoylsulfamoyloxy]benzoate
CID 155546841
2,2,2-trifluoroethyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]benzoate
CID 15616174
1-[2-(dichloromethyl)phenyl]sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 13364616
ethyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 13364395
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 19377379
ethyl 2-[(4-fluoro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 14721641

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate?
The IUPAC name of (2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate (CID 20762994) is (2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate.
What is the SMILES notation for (2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate?
The canonical SMILES for (2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate is CCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1.
What is the InChIKey of (2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate?
The InChIKey is RGOUZAOKTRBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O6S/c1-4-24-11-7-5-6-8-12(11)25-26(21,22)19-15(20)18-14-16-10(2)9-13(17-14)23-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of (2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate?
(2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate has a molecular weight of 382.40 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]sulfamate is sourced from PubChem (CID 20762994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).