1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea

C16H25N3O3S — CID 1485494

IUPAC1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea
SMILESCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C1CCCCC1
InChIInChI=1S/C16H25N3O3S/c1-18(2)23(21,22)15-11-9-13(10-12-15)17-16(20)19(3)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,17,20)
InChIKeyCNQRGSHEOJLDJP-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.73
Rot. Bonds4

About 1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea

1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea (PubChem CID 1485494) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea
PubChem CID1485494
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea
SMILESCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C1CCCCC1
InChIInChI=1S/C16H25N3O3S/c1-18(2)23(21,22)15-11-9-13(10-12-15)17-16(20)19(3)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,17,20)
InChIKeyCNQRGSHEOJLDJP-UHFFFAOYSA-N
XLogP2.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea (CID 1485494) is 1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea is CN(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea?
The InChIKey is CNQRGSHEOJLDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18(2)23(21,22)15-11-9-13(10-12-15)17-16(20)19(3)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,17,20).
What are the key properties of 1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea?
1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea has a molecular weight of 339.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(dimethylsulfamoyl)phenyl]-1-methylurea is sourced from PubChem (CID 1485494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).