methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate

C22H27N5O6S — CID 59767886

IUPACmethyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1
InChIInChI=1S/C22H27N5O6S/c1-33-21(29)19-14-24-18(13-25-19)20(28)23-12-11-15-7-9-17(10-8-15)34(31,32)27-22(30)26-16-5-3-2-4-6-16/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,23,28)(H2,26,27,30)
InChIKeyHFGMTKKJAZISAV-UHFFFAOYSA-N
MW489.55 g/mol
LogP1.56
Rot. Bonds8

About methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate

methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate (PubChem CID 59767886) has the molecular formula C22H27N5O6S and a molecular weight of 489.55 g/mol. Its IUPAC name is methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate
PubChem CID59767886
Molecular FormulaC22H27N5O6S
Molecular Weight489.55 g/mol
Exact Mass489.17
IUPAC Namemethyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1
InChIInChI=1S/C22H27N5O6S/c1-33-21(29)19-14-24-18(13-25-19)20(28)23-12-11-15-7-9-17(10-8-15)34(31,32)27-22(30)26-16-5-3-2-4-6-16/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,23,28)(H2,26,27,30)
InChIKeyHFGMTKKJAZISAV-UHFFFAOYSA-N
XLogP1.56
TPSA156.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-[(2-diethoxyphosphorylethylamino)methyl]pyrazine-2-carboxamide
CID 11578153
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
[5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazin-2-yl]methyl N-(2-diethoxyphosphorylethyl)carbamate
CID 11563754
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
CID 44567440
cerium;5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
CID 88767103
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
1-cyclohexyl-3-[methylidene-[4-[2-[1-(5-methylpyrazin-2-yl)ethenylamino]ethyl]phenyl]-oxo-λ6-sulfanyl]urea
CID 145139595
3-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-methyl-1-pyridin-2-ylurea
CID 21433328
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane
CID 21162344
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
CID 100950927
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide
CID 10372384

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate (CID 59767886) is methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate is COC(=O)c1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1.
What is the InChIKey of methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate?
The InChIKey is HFGMTKKJAZISAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O6S/c1-33-21(29)19-14-24-18(13-25-19)20(28)23-12-11-15-7-9-17(10-8-15)34(31,32)27-22(30)26-16-5-3-2-4-6-16/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,23,28)(H2,26,27,30).
What are the key properties of methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate?
methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate has a molecular weight of 489.55 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate is sourced from PubChem (CID 59767886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).