4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide

C19H30N2O3S — CID 7918659

IUPAC4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-19(2,3)15-8-6-14(7-9-15)18(22)20-16-10-12-17(13-11-16)25(23,24)21(4)5/h10-15H,6-9H2,1-5H3,(H,20,22)
InChIKeyJPZQTSATVVNXBO-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.73
Rot. Bonds4

About 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide

4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 7918659) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide
PubChem CID7918659
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-19(2,3)15-8-6-14(7-9-15)18(22)20-16-10-12-17(13-11-16)25(23,24)21(4)5/h10-15H,6-9H2,1-5H3,(H,20,22)
InChIKeyJPZQTSATVVNXBO-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide (CID 7918659) is 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is JPZQTSATVVNXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-19(2,3)15-8-6-14(7-9-15)18(22)20-16-10-12-17(13-11-16)25(23,24)21(4)5/h10-15H,6-9H2,1-5H3,(H,20,22).
What are the key properties of 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 7918659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).