N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

C22H24F3NO3S — CID 67991885

IUPACN-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
SMILESO=C(NCCCc1ccccc1)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C22H24F3NO3S/c23-22(24,25)18-10-12-19(13-11-18)30(28,29)21(14-4-5-15-21)20(27)26-16-6-9-17-7-2-1-3-8-17/h1-3,7-8,10-13H,4-6,9,14-16H2,(H,26,27)
InChIKeyGMIDNLNBHZDGJZ-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.54
Rot. Bonds7

About N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide (PubChem CID 67991885) has the molecular formula C22H24F3NO3S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
PubChem CID67991885
Molecular FormulaC22H24F3NO3S
Molecular Weight439.50 g/mol
Exact Mass439.14
IUPAC NameN-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
SMILESO=C(NCCCc1ccccc1)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C22H24F3NO3S/c23-22(24,25)18-10-12-19(13-11-18)30(28,29)21(14-4-5-15-21)20(27)26-16-6-9-17-7-2-1-3-8-17/h1-3,7-8,10-13H,4-6,9,14-16H2,(H,26,27)
InChIKeyGMIDNLNBHZDGJZ-UHFFFAOYSA-N
XLogP4.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylsulfanylethyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclobutane-1-carboxamide
CID 53328573
1-(4-chlorophenyl)sulfonyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 37393006
N-(3-phenylpropyl)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclobutane-1-carboxamide
CID 67991854
1-(4-chlorophenyl)sulfonyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 119430175
1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 78840798
1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide
CID 55970560
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide
CID 39642729
1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
CID 118768125
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
N-[3-[4-(trifluoromethyl)phenyl]propyl]aniline;hydrochloride
CID 69042120
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide (CID 67991885) is N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide is O=C(NCCCc1ccccc1)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCC1.
What is the InChIKey of N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The InChIKey is GMIDNLNBHZDGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO3S/c23-22(24,25)18-10-12-19(13-11-18)30(28,29)21(14-4-5-15-21)20(27)26-16-6-9-17-7-2-1-3-8-17/h1-3,7-8,10-13H,4-6,9,14-16H2,(H,26,27).
What are the key properties of N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 67991885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).