(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide

C23H20ClF3N2O3S — CID 174508527

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N(CCc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF3N2O3S/c24-18-10-12-19(13-11-18)33(31,32)29(21(22(28)30)17-7-2-1-3-8-17)15-14-16-6-4-5-9-20(16)23(25,26)27/h1-13,21H,14-15H2,(H2,28,30)/t21-/m1/s1
InChIKeyLWAJTKZNWGXGQC-OAQYLSRUSA-N
MW496.94 g/mol
LogP4.82
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide (PubChem CID 174508527) has the molecular formula C23H20ClF3N2O3S and a molecular weight of 496.94 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
PubChem CID174508527
Molecular FormulaC23H20ClF3N2O3S
Molecular Weight496.94 g/mol
Exact Mass496.08
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N(CCc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF3N2O3S/c24-18-10-12-19(13-11-18)33(31,32)29(21(22(28)30)17-7-2-1-3-8-17)15-14-16-6-4-5-9-20(16)23(25,26)27/h1-13,21H,14-15H2,(H2,28,30)/t21-/m1/s1
InChIKeyLWAJTKZNWGXGQC-OAQYLSRUSA-N
XLogP4.82
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.94
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
CID 174522740
2-[(4-chlorophenyl)sulfonyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075487
2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508550
2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide
CID 174508547
2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075524
3-[[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid
CID 21075529
2-[(4-chlorophenyl)sulfonyl-[(3,5-dimethylphenyl)methyl]amino]-2-phenylacetamide
CID 21075494
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 24664974
2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide
CID 21075497
2-[(4-chlorophenyl)sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075505
2-[(4-chlorophenyl)sulfonyl-[(3-nitrophenyl)methyl]amino]-2-phenylacetamide
CID 21075502
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 118246686

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide (CID 174508527) is (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide is NC(=O)[C@@H](c1ccccc1)N(CCc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide?
The InChIKey is LWAJTKZNWGXGQC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20ClF3N2O3S/c24-18-10-12-19(13-11-18)33(31,32)29(21(22(28)30)17-7-2-1-3-8-17)15-14-16-6-4-5-9-20(16)23(25,26)27/h1-13,21H,14-15H2,(H2,28,30)/t21-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide has a molecular weight of 496.94 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 174508527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).