N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide

C18H24F3NO2S — CID 138550957

IUPACN-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide
SMILESO=S(=O)(N(C/C=C/C1CCCCC1)CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H24F3NO2S/c19-18(20,21)25(23,24)22(15-13-17-10-5-2-6-11-17)14-7-12-16-8-3-1-4-9-16/h2,5-7,10-12,16H,1,3-4,8-9,13-15H2/b12-7+
InChIKeyAZTAWTHMLARXJM-KPKJPENVSA-N
MW375.46 g/mol
LogP4.52
Rot. Bonds7

About N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide

N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide (PubChem CID 138550957) has the molecular formula C18H24F3NO2S and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide
PubChem CID138550957
Molecular FormulaC18H24F3NO2S
Molecular Weight375.46 g/mol
Exact Mass375.15
IUPAC NameN-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide
SMILESO=S(=O)(N(C/C=C/C1CCCCC1)CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H24F3NO2S/c19-18(20,21)25(23,24)22(15-13-17-10-5-2-6-11-17)14-7-12-16-8-3-1-4-9-16/h2,5-7,10-12,16H,1,3-4,8-9,13-15H2/b12-7+
InChIKeyAZTAWTHMLARXJM-KPKJPENVSA-N
XLogP4.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide 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 N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide (CID 138550957) is N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide is O=S(=O)(N(C/C=C/C1CCCCC1)CCc1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is AZTAWTHMLARXJM-KPKJPENVSA-N. The full InChI is InChI=1S/C18H24F3NO2S/c19-18(20,21)25(23,24)22(15-13-17-10-5-2-6-11-17)14-7-12-16-8-3-1-4-9-16/h2,5-7,10-12,16H,1,3-4,8-9,13-15H2/b12-7+.
What are the key properties of N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide?
N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 375.46 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 138550957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).