1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea

C22H37N3O3S — CID 10550229

IUPAC1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C22H37N3O3S/c1-15(2)19-13-10-14-20(16(3)4)21(19)23-22(26)24-29(27,28)25(17(5)6)18-11-8-7-9-12-18/h10,13-18H,7-9,11-12H2,1-6H3,(H2,23,24,26)
InChIKeyJPLKRWMEZJTOPY-UHFFFAOYSA-N
MW423.62 g/mol
LogP5.34
Rot. Bonds7

About 1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea

1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 10550229) has the molecular formula C22H37N3O3S and a molecular weight of 423.62 g/mol. Its IUPAC name is 1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID10550229
Molecular FormulaC22H37N3O3S
Molecular Weight423.62 g/mol
Exact Mass423.26
IUPAC Name1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C22H37N3O3S/c1-15(2)19-13-10-14-20(16(3)4)21(19)23-22(26)24-29(27,28)25(17(5)6)18-11-8-7-9-12-18/h10,13-18H,7-9,11-12H2,1-6H3,(H2,23,24,26)
InChIKeyJPLKRWMEZJTOPY-UHFFFAOYSA-N
XLogP5.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.62
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea (CID 10550229) is 1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C(C)C)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is JPLKRWMEZJTOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3S/c1-15(2)19-13-10-14-20(16(3)4)21(19)23-22(26)24-29(27,28)25(17(5)6)18-11-8-7-9-12-18/h10,13-18H,7-9,11-12H2,1-6H3,(H2,23,24,26).
What are the key properties of 1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 423.62 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 10550229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).