N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide

C23H16ClF3N2O4S — CID 71284000

IUPACN-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(C#N)c2)cc1
InChIInChI=1S/C23H16ClF3N2O4S/c1-34(31,32)17-8-6-14(7-9-17)10-21(30)29-16-11-15(13-28)22(19(24)12-16)18-4-2-3-5-20(18)33-23(25,26)27/h2-9,11-12H,10H2,1H3,(H,29,30)
InChIKeyKKAOYVISTQKQSK-UHFFFAOYSA-N
MW508.91 g/mol
LogP5.36
Rot. Bonds6

About N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide

N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 71284000) has the molecular formula C23H16ClF3N2O4S and a molecular weight of 508.91 g/mol. Its IUPAC name is N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
PubChem CID71284000
Molecular FormulaC23H16ClF3N2O4S
Molecular Weight508.91 g/mol
Exact Mass508.05
IUPAC NameN-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(C#N)c2)cc1
InChIInChI=1S/C23H16ClF3N2O4S/c1-34(31,32)17-8-6-14(7-9-17)10-21(30)29-16-11-15(13-28)22(19(24)12-16)18-4-2-3-5-20(18)33-23(25,26)27/h2-9,11-12H,10H2,1H3,(H,29,30)
InChIKeyKKAOYVISTQKQSK-UHFFFAOYSA-N
XLogP5.36
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.91
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-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-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide
CID 157046219
N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 123708136
1-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-(5-methylsulfonyl-2-pyridinyl)urea
CID 138584039
1-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-[(5-methylsulfonyl-2-pyridinyl)methyl]urea
CID 138583956
4-[[[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoylamino]methyl]-N-methylsulfonylbenzamide
CID 138583955
1-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-[[4-(methanesulfonamido)phenyl]methyl]urea
CID 138583938
N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 71289939
N-[3,5-difluoro-4-[4-fluoro-2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71506775
2-[4-[[[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoylamino]methyl]-3-methylphenyl]acetic acid
CID 138600520
N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771339
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
2-(4-ethylsulfonylphenyl)-N-[3-pyridin-2-yl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71285897

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide (CID 71284000) is N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(C#N)c2)cc1.
What is the InChIKey of N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is KKAOYVISTQKQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N2O4S/c1-34(31,32)17-8-6-14(7-9-17)10-21(30)29-16-11-15(13-28)22(19(24)12-16)18-4-2-3-5-20(18)33-23(25,26)27/h2-9,11-12H,10H2,1H3,(H,29,30).
What are the key properties of N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide?
N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 508.91 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 71284000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).