[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C18H22N4O5S — CID 7950215

IUPAC[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C18H22N4O5S/c1-4-22(5-2)28(25,26)15-8-6-7-14(9-15)21-17(23)12-27-18(24)16-11-19-13(3)10-20-16/h6-11H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyYXHAXIBRHPNERU-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.61
Rot. Bonds8

About [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 7950215) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID7950215
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C18H22N4O5S/c1-4-22(5-2)28(25,26)15-8-6-7-14(9-15)21-17(23)12-27-18(24)16-11-19-13(3)10-20-16/h6-11H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyYXHAXIBRHPNERU-UHFFFAOYSA-N
XLogP1.61
TPSA118.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 8933526
[2-(3-acetamidoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7760422
[2-(3-methylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337979
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536329
[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337047
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 42985627
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199802
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2498004
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 42985535

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 7950215) is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1.
What is the InChIKey of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is YXHAXIBRHPNERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-4-22(5-2)28(25,26)15-8-6-7-14(9-15)21-17(23)12-27-18(24)16-11-19-13(3)10-20-16/h6-11H,4-5,12H2,1-3H3,(H,21,23).
What are the key properties of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 406.46 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7950215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).