1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea

C19H33N5O4S — CID 155459302

IUPAC1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea
SMILESCC1CCCC(C)(C)C1NC(=O)NS(=O)(=O)N(c1cnn(C)c1)C1CCOCC1
InChIInChI=1S/C19H33N5O4S/c1-14-6-5-9-19(2,3)17(14)21-18(25)22-29(26,27)24(15-7-10-28-11-8-15)16-12-20-23(4)13-16/h12-15,17H,5-11H2,1-4H3,(H2,21,22,25)
InChIKeyKZVCTGDCFDXJAZ-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.16
Rot. Bonds5

About 1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea

1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea (PubChem CID 155459302) has the molecular formula C19H33N5O4S and a molecular weight of 427.57 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea
PubChem CID155459302
Molecular FormulaC19H33N5O4S
Molecular Weight427.57 g/mol
Exact Mass427.23
IUPAC Name1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea
SMILESCC1CCCC(C)(C)C1NC(=O)NS(=O)(=O)N(c1cnn(C)c1)C1CCOCC1
InChIInChI=1S/C19H33N5O4S/c1-14-6-5-9-19(2,3)17(14)21-18(25)22-29(26,27)24(15-7-10-28-11-8-15)16-12-20-23(4)13-16/h12-15,17H,5-11H2,1-4H3,(H2,21,22,25)
InChIKeyKZVCTGDCFDXJAZ-UHFFFAOYSA-N
XLogP2.16
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea with MolForge

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Related Compounds

CID 155225059
CID 155225059
CID 155225439
CID 155225439
1-[(3,3-dimethyloxan-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155225206
1-[3-chloro-5-(2,2,2-trifluoroethoxy)phenyl]-3-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]urea
CID 155225373
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(2S,4R)-2-methyloxan-4-yl]-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 155459315
CID 175825416
CID 175825416
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea
CID 155225109
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]sulfamoyl]urea
CID 155225134
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[oxan-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfamoyl]urea
CID 147043030
CID 155225310
CID 155225310
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-(oxolan-3-ylmethyl)sulfamoyl]urea
CID 170689278
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-1,2,4-triazol-3-yl)-(oxan-4-yl)sulfamoyl]urea
CID 155225247

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea (CID 155459302) is 1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea is CC1CCCC(C)(C)C1NC(=O)NS(=O)(=O)N(c1cnn(C)c1)C1CCOCC1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea?
The InChIKey is KZVCTGDCFDXJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O4S/c1-14-6-5-9-19(2,3)17(14)21-18(25)22-29(26,27)24(15-7-10-28-11-8-15)16-12-20-23(4)13-16/h12-15,17H,5-11H2,1-4H3,(H2,21,22,25).
What are the key properties of 1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea?
1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea has a molecular weight of 427.57 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea is sourced from PubChem (CID 155459302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).