N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide

C29H39F3N2O4S2 — CID 18713914

IUPACN-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CC=C(c2ccc(CCNS(=O)(=O)CCc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C29H39F3N2O4S2/c1-21(2)40(37,38)34-20-22(3)25-10-12-27(13-11-25)26-8-4-23(5-9-26)16-18-33-39(35,36)19-17-24-6-14-28(15-7-24)29(30,31)32/h4-9,12,14-15,21-22,25,33-34H,10-11,13,16-20H2,1-3H3
InChIKeyFVJHZJOIRIXXSR-UHFFFAOYSA-N
MW600.77 g/mol
LogP5.56
Rot. Bonds13

About N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide

N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide (PubChem CID 18713914) has the molecular formula C29H39F3N2O4S2 and a molecular weight of 600.77 g/mol. Its IUPAC name is N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
PubChem CID18713914
Molecular FormulaC29H39F3N2O4S2
Molecular Weight600.77 g/mol
Exact Mass600.23
IUPAC NameN-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CC=C(c2ccc(CCNS(=O)(=O)CCc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C29H39F3N2O4S2/c1-21(2)40(37,38)34-20-22(3)25-10-12-27(13-11-25)26-8-4-23(5-9-26)16-18-33-39(35,36)19-17-24-6-14-28(15-7-24)29(30,31)32/h4-9,12,14-15,21-22,25,33-34H,10-11,13,16-20H2,1-3H3
InChIKeyFVJHZJOIRIXXSR-UHFFFAOYSA-N
XLogP5.56
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide 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

Mibampator
CID 9889366
N-(2-(4'-Cyano-[1,1'-biphenyl]-4-yl)propyl)propane-2-sulfonamide
CID 9928016
LY 392098
CID 9927707
Propane-2-sulfonic acid (2-biphenyl-4-yl-propyl)-amide
CID 10829310
Propane-2-sulfonic acid [2-(4''-methyl-biphenyl-4-yl)-propyl]-amide
CID 10853988
N-[2-(4''-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
CID 18713992
Cmpda
CID 9969799
N-[(2R)-2-[4-[4-[(2S)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide
CID 16731393
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-propyl]-amide
CID 9817709
Ethanesulfonic acid [2-(2''-fluoro-biphenyl-4-yl)-propyl]-amide
CID 9840117
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-butyl]-amide
CID 10519128
Propane-2-sulfonic acid [2-(2''-fluoro-biphenyl-4-yl)-ethyl]-amide
CID 10567789

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide (CID 18713914) is N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CC=C(c2ccc(CCNS(=O)(=O)CCc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide?
The InChIKey is FVJHZJOIRIXXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39F3N2O4S2/c1-21(2)40(37,38)34-20-22(3)25-10-12-27(13-11-25)26-8-4-23(5-9-26)16-18-33-39(35,36)19-17-24-6-14-28(15-7-24)29(30,31)32/h4-9,12,14-15,21-22,25,33-34H,10-11,13,16-20H2,1-3H3.
What are the key properties of N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide?
N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide has a molecular weight of 600.77 g/mol, XLogP of 5.56, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 18713914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).