2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid

C21H27N5O5S — CID 18782168

IUPAC2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid
SMILESCc1cncc(N(CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)C(=O)O)n1
InChIInChI=1S/C21H27N5O5S/c1-15-13-22-14-19(23-15)26(21(28)29)12-11-16-7-9-18(10-8-16)32(30,31)25-20(27)24-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,28,29)(H2,24,25,27)
InChIKeyIXUPGEPAJFTHOX-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.83
Rot. Bonds7

About 2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid

2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid (PubChem CID 18782168) has the molecular formula C21H27N5O5S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid.

Molecular Properties

Compound Name2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid
PubChem CID18782168
Molecular FormulaC21H27N5O5S
Molecular Weight461.54 g/mol
Exact Mass461.17
IUPAC Name2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid
SMILESCc1cncc(N(CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)C(=O)O)n1
InChIInChI=1S/C21H27N5O5S/c1-15-13-22-14-19(23-15)26(21(28)29)12-11-16-7-9-18(10-8-16)32(30,31)25-20(27)24-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,28,29)(H2,24,25,27)
InChIKeyIXUPGEPAJFTHOX-UHFFFAOYSA-N
XLogP2.83
TPSA141.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
CID 100950927
3-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-methyl-1-pyridin-2-ylurea
CID 21433328
3-[2-[4-(cycloheptylcarbamoylsulfamoyl)phenyl]ethyl]-1-methyl-1-quinolin-2-ylurea
CID 21433308
3-[2-[4-(cyclopentylcarbamoylsulfamoyl)phenyl]ethyl]-1-methyl-1-quinolin-2-ylurea
CID 21433331
methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate
CID 59767886
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
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
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid?
The IUPAC name of 2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid (CID 18782168) is 2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid.
What is the SMILES notation for 2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid?
The canonical SMILES for 2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid is Cc1cncc(N(CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)C(=O)O)n1.
What is the InChIKey of 2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid?
The InChIKey is IXUPGEPAJFTHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5S/c1-15-13-22-14-19(23-15)26(21(28)29)12-11-16-7-9-18(10-8-16)32(30,31)25-20(27)24-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,28,29)(H2,24,25,27).
What are the key properties of 2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid?
2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid has a molecular weight of 461.54 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid is sourced from PubChem (CID 18782168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).