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

C21H24F3NO2S — CID 138550908

IUPACN-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide
SMILESO=S(=O)(N(C/C=C/C1CCCCC1)Cc1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C21H24F3NO2S/c22-21(23,24)28(26,27)25(15-7-10-17-8-2-1-3-9-17)16-19-13-6-12-18-11-4-5-14-20(18)19/h4-7,10-14,17H,1-3,8-9,15-16H2/b10-7+
InChIKeyTXNXTMMHZUBAGE-JXMROGBWSA-N
MW411.49 g/mol
LogP5.63
Rot. Bonds6

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

N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide (PubChem CID 138550908) has the molecular formula C21H24F3NO2S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide
PubChem CID138550908
Molecular FormulaC21H24F3NO2S
Molecular Weight411.49 g/mol
Exact Mass411.15
IUPAC NameN-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide
SMILESO=S(=O)(N(C/C=C/C1CCCCC1)Cc1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C21H24F3NO2S/c22-21(23,24)28(26,27)25(15-7-10-17-8-2-1-3-9-17)16-19-13-6-12-18-11-4-5-14-20(18)19/h4-7,10-14,17H,1-3,8-9,15-16H2/b10-7+
InChIKeyTXNXTMMHZUBAGE-JXMROGBWSA-N
XLogP5.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.63
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-(naphthalen-1-ylmethyl)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-(naphthalen-1-ylmethyl)methanesulfonamide?
The IUPAC name of N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide (CID 138550908) is N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide is O=S(=O)(N(C/C=C/C1CCCCC1)Cc1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide?
The InChIKey is TXNXTMMHZUBAGE-JXMROGBWSA-N. The full InChI is InChI=1S/C21H24F3NO2S/c22-21(23,24)28(26,27)25(15-7-10-17-8-2-1-3-9-17)16-19-13-6-12-18-11-4-5-14-20(18)19/h4-7,10-14,17H,1-3,8-9,15-16H2/b10-7+.
What are the key properties of N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide?
N-[(E)-3-cyclohexylprop-2-enyl]-1,1,1-trifluoro-N-(naphthalen-1-ylmethyl)methanesulfonamide has a molecular weight of 411.49 g/mol, XLogP of 5.63, 6 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-(naphthalen-1-ylmethyl)methanesulfonamide is sourced from PubChem (CID 138550908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).