N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide

C24H21ClF3NO4S — CID 71286023

IUPACN-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide
SMILESCCS(=O)(=O)c1ccc(C(C)C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C24H21ClF3NO4S/c1-3-34(31,32)18-11-8-16(9-12-18)15(2)23(30)29-17-10-13-19(21(25)14-17)20-6-4-5-7-22(20)33-24(26,27)28/h4-15H,3H2,1-2H3,(H,29,30)
InChIKeyCNHDODLAMRYOOD-UHFFFAOYSA-N
MW511.95 g/mol
LogP6.44
Rot. Bonds7

About N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide

N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide (PubChem CID 71286023) has the molecular formula C24H21ClF3NO4S and a molecular weight of 511.95 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide
PubChem CID71286023
Molecular FormulaC24H21ClF3NO4S
Molecular Weight511.95 g/mol
Exact Mass511.08
IUPAC NameN-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide
SMILESCCS(=O)(=O)c1ccc(C(C)C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C24H21ClF3NO4S/c1-3-34(31,32)18-11-8-16(9-12-18)15(2)23(30)29-17-10-13-19(21(25)14-17)20-6-4-5-7-22(20)33-24(26,27)28/h4-15H,3H2,1-2H3,(H,29,30)
InChIKeyCNHDODLAMRYOOD-UHFFFAOYSA-N
XLogP6.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.95
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylsulfonylphenyl)-2-hydroxy-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 144540017
1-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-[(4-propylsulfonylphenyl)methyl]urea
CID 139409328
2-(4-ethylsulfonylphenyl)-N-[3-pyridin-2-yl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71285897
N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide
CID 157046219
N-[4-(2-butoxyphenyl)-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289987
2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118835656
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide
CID 130293163
2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
CID 71289973
2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]-1H-indol-7-yl]acetamide
CID 71285804
2-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)-3-methoxypropanamide
CID 175873363
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(1-hydroxy-3-methylsulfanylpropyl)piperidine-2-carboxamide
CID 137454143
2-(4-ethylsulfonylphenyl)-N-[2-(iodomethyl)-3-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 89425955

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide?
The IUPAC name of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide (CID 71286023) is N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide?
The canonical SMILES for N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide is CCS(=O)(=O)c1ccc(C(C)C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide?
The InChIKey is CNHDODLAMRYOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3NO4S/c1-3-34(31,32)18-11-8-16(9-12-18)15(2)23(30)29-17-10-13-19(21(25)14-17)20-6-4-5-7-22(20)33-24(26,27)28/h4-15H,3H2,1-2H3,(H,29,30).
What are the key properties of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide?
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide has a molecular weight of 511.95 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide is sourced from PubChem (CID 71286023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).