methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate

C16H16N2O6S — CID 19928091

IUPACmethyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NS(=O)(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C16H16N2O6S/c1-23-16(20)14-8-7-12(11-17-14)15(19)18-25(21,22)10-9-24-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyJVAKGJCSLCEOIW-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.01
Rot. Bonds7

About methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate

methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate (PubChem CID 19928091) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate
PubChem CID19928091
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Namemethyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NS(=O)(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C16H16N2O6S/c1-23-16(20)14-8-7-12(11-17-14)15(19)18-25(21,22)10-9-24-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyJVAKGJCSLCEOIW-UHFFFAOYSA-N
XLogP1.01
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782956
ethyl 5-(4-phenylbutylsulfonylcarbamoyl)pyridine-2-carboxylate
CID 19928468
methyl 5-[[4-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928421
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
CID 66665588
6-(ethoxymethyl)-N-(2-phenylmethoxyethylsulfonyl)pyridine-3-carboxamide
CID 67867100
ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928247
methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate
CID 19970558
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657
5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19970342
methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928498
5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 54564954

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate (CID 19928091) is methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate is COC(=O)c1ccc(C(=O)NS(=O)(=O)CCOc2ccccc2)cn1.
What is the InChIKey of methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is JVAKGJCSLCEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-23-16(20)14-8-7-12(11-17-14)15(19)18-25(21,22)10-9-24-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate?
methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 364.38 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 19928091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).