acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide

C24H24ClF2N3O3S2 — CID 145406721

IUPACacetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide
SMILESCC(N)=O.O=S(Nc1cscn1)c1cc(Cl)c(OCC2CCCC=C2c2ccc(F)cc2)cc1F
InChIInChI=1S/C22H19ClF2N2O2S2.C2H5NO/c23-18-9-21(31(28)27-22-12-30-13-26-22)19(25)10-20(18)29-11-15-3-1-2-4-17(15)14-5-7-16(24)8-6-14;1-2(3)4/h4-10,12-13,15,27H,1-3,11H2;1H3,(H2,3,4)
InChIKeyJHZDBGFKRYCAOH-UHFFFAOYSA-N
MW540.06 g/mol
LogP5.96
Rot. Bonds7

About acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide

acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide (PubChem CID 145406721) has the molecular formula C24H24ClF2N3O3S2 and a molecular weight of 540.06 g/mol. Its IUPAC name is acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide.

Molecular Properties

Compound Nameacetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide
PubChem CID145406721
Molecular FormulaC24H24ClF2N3O3S2
Molecular Weight540.06 g/mol
Exact Mass539.09
IUPAC Nameacetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide
SMILESCC(N)=O.O=S(Nc1cscn1)c1cc(Cl)c(OCC2CCCC=C2c2ccc(F)cc2)cc1F
InChIInChI=1S/C22H19ClF2N2O2S2.C2H5NO/c23-18-9-21(31(28)27-22-12-30-13-26-22)19(25)10-20(18)29-11-15-3-1-2-4-17(15)14-5-7-16(24)8-6-14;1-2(3)4/h4-10,12-13,15,27H,1-3,11H2;1H3,(H2,3,4)
InChIKeyJHZDBGFKRYCAOH-UHFFFAOYSA-N
XLogP5.96
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.06
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide 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

5-chloro-2-fluoro-4-[[2-(3-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide
CID 145406573
5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methyl-methylamino]-N-(1,3-thiazol-4-yl)benzenesulfinamide
CID 145406495
5-chloro-2-fluoro-4-[1-[2-(4-fluorophenyl)cyclohex-2-en-1-yl]ethoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide
CID 145406650
5-chloro-4-[[5-(2-chloro-4-fluorophenyl)-1,2,3,6-tetrahydropyridin-6-yl]methoxy]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfinamide
CID 145406498
4-[[6-amino-2-(3-chloro-4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfinamide;N-[5-chloro-4-[[6-(ethylamino)-2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-2-fluorophenyl]sulfanyl-1,3-thiazol-4-amine
CID 145406454
5-chloro-4-[[2-(3,5-difluorophenyl)cyclohex-2-en-1-yl]methoxy]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 145406386
4-[[6-amino-2-(4-fluorophenyl)-6-methylcyclohex-2-en-1-yl]methoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 145406682
5-chloro-2-fluoro-4-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 145406505
5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 145406591
3-chloro-4-[[(6R)-6-(dimethylamino)-2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 145406385
3-chloro-4-[[(1S)-2-(4-fluorophenyl)cyclohex-2-en-1-yl]methylsulfanyl]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 145406484
4-[[(6R)-6-(dimethylamino)-2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 145406758

Frequently Asked Questions

What is the IUPAC name of acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide?
The IUPAC name of acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide (CID 145406721) is acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide.
What is the SMILES notation for acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide?
The canonical SMILES for acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide is CC(N)=O.O=S(Nc1cscn1)c1cc(Cl)c(OCC2CCCC=C2c2ccc(F)cc2)cc1F.
What is the InChIKey of acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide?
The InChIKey is JHZDBGFKRYCAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O2S2.C2H5NO/c23-18-9-21(31(28)27-22-12-30-13-26-22)19(25)10-20(18)29-11-15-3-1-2-4-17(15)14-5-7-16(24)8-6-14;1-2(3)4/h4-10,12-13,15,27H,1-3,11H2;1H3,(H2,3,4).
What are the key properties of acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide?
acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide has a molecular weight of 540.06 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;5-chloro-2-fluoro-4-[[2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfinamide is sourced from PubChem (CID 145406721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).