(E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide

C19H28N2O3S — CID 2344304

IUPAC(E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-3-21(4-2)25(23,24)18-13-10-16(11-14-18)12-15-19(22)20-17-8-6-5-7-9-17/h10-15,17H,3-9H2,1-2H3,(H,20,22)/b15-12+
InChIKeySMNYOFAKPWSNOT-NTCAYCPXSA-N
MW364.51 g/mol
LogP3.18
Rot. Bonds7

About (E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide

(E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 2344304) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID2344304
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-3-21(4-2)25(23,24)18-13-10-16(11-14-18)12-15-19(22)20-17-8-6-5-7-9-17/h10-15,17H,3-9H2,1-2H3,(H,20,22)/b15-12+
InChIKeySMNYOFAKPWSNOT-NTCAYCPXSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide (CID 2344304) is (E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is SMNYOFAKPWSNOT-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-3-21(4-2)25(23,24)18-13-10-16(11-14-18)12-15-19(22)20-17-8-6-5-7-9-17/h10-15,17H,3-9H2,1-2H3,(H,20,22)/b15-12+.
What are the key properties of (E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
(E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 364.51 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2344304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).