(1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid

C23H30N2O4S — CID 57371125

IUPAC(1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid
SMILESCN(C)S(=O)(=O)c1ccc(N(C(=O)O)C(C)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-23(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25(22(26)27)20-14-16-21(17-15-20)30(28,29)24(2)3/h4,6-7,10-11,14-17,19H,5,8-9,12-13H2,1-3H3,(H,26,27)
InChIKeyXYLJRJXTQCCDPO-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.92
Rot. Bonds6

About (1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid

(1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid (PubChem CID 57371125) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is (1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid.

Molecular Properties

Compound Name(1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid
PubChem CID57371125
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name(1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid
SMILESCN(C)S(=O)(=O)c1ccc(N(C(=O)O)C(C)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-23(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25(22(26)27)20-14-16-21(17-15-20)30(28,29)24(2)3/h4,6-7,10-11,14-17,19H,5,8-9,12-13H2,1-3H3,(H,26,27)
InChIKeyXYLJRJXTQCCDPO-UHFFFAOYSA-N
XLogP4.92
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid?
The IUPAC name of (1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid (CID 57371125) is (1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid.
What is the SMILES notation for (1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid?
The canonical SMILES for (1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid is CN(C)S(=O)(=O)c1ccc(N(C(=O)O)C(C)(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of (1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid?
The InChIKey is XYLJRJXTQCCDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-23(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25(22(26)27)20-14-16-21(17-15-20)30(28,29)24(2)3/h4,6-7,10-11,14-17,19H,5,8-9,12-13H2,1-3H3,(H,26,27).
What are the key properties of (1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid?
(1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid has a molecular weight of 430.57 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-1-phenylethyl)-[4-(dimethylsulfamoyl)phenyl]carbamic acid is sourced from PubChem (CID 57371125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).