N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide

C24H21ClF3NO5S2 — CID 175602036

IUPACN-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide
SMILESCC(Sc1ccc(NC(=O)Cc2ccc(O)c(S(C)(=O)=O)c2)cc1Cl)c1ccccc1OC(F)(F)F
InChIInChI=1S/C24H21ClF3NO5S2/c1-14(17-5-3-4-6-20(17)34-24(26,27)28)35-21-10-8-16(13-18(21)25)29-23(31)12-15-7-9-19(30)22(11-15)36(2,32)33/h3-11,13-14,30H,12H2,1-2H3,(H,29,31)
InChIKeyCXJSMUIFXWDPAJ-UHFFFAOYSA-N
MW560.02 g/mol
LogP6.38
Rot. Bonds8

About N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide

N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide (PubChem CID 175602036) has the molecular formula C24H21ClF3NO5S2 and a molecular weight of 560.02 g/mol. Its IUPAC name is N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide
PubChem CID175602036
Molecular FormulaC24H21ClF3NO5S2
Molecular Weight560.02 g/mol
Exact Mass559.05
IUPAC NameN-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide
SMILESCC(Sc1ccc(NC(=O)Cc2ccc(O)c(S(C)(=O)=O)c2)cc1Cl)c1ccccc1OC(F)(F)F
InChIInChI=1S/C24H21ClF3NO5S2/c1-14(17-5-3-4-6-20(17)34-24(26,27)28)35-21-10-8-16(13-18(21)25)29-23(31)12-15-7-9-19(30)22(11-15)36(2,32)33/h3-11,13-14,30H,12H2,1-2H3,(H,29,31)
InChIKeyCXJSMUIFXWDPAJ-UHFFFAOYSA-N
XLogP6.38
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.02
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide 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-[3-cyano-4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide
CID 175601799
N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 71284000
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342
N-(4-hydroxy-3-methylsulfonylphenyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethoxy]benzamide
CID 175987914
N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 71289939
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
1-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-[[4-(methanesulfonamido)phenyl]methyl]urea
CID 138583938
1-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-[(4-propylsulfonylphenyl)methyl]urea
CID 139409328
N-[4-(sulfamoylmethyl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 60541692
3-fluoro-N-(4-hydroxy-3-methylsulfonylphenyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzamide
CID 175601998
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide (CID 175602036) is N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide is CC(Sc1ccc(NC(=O)Cc2ccc(O)c(S(C)(=O)=O)c2)cc1Cl)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide?
The InChIKey is CXJSMUIFXWDPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3NO5S2/c1-14(17-5-3-4-6-20(17)34-24(26,27)28)35-21-10-8-16(13-18(21)25)29-23(31)12-15-7-9-19(30)22(11-15)36(2,32)33/h3-11,13-14,30H,12H2,1-2H3,(H,29,31).
What are the key properties of N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide?
N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide has a molecular weight of 560.02 g/mol, XLogP of 6.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[1-[2-(trifluoromethoxy)phenyl]ethylsulfanyl]phenyl]-2-(4-hydroxy-3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 175602036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).