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

C23H19ClF4N2O3S — CID 174522740

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N(CCc1ccc(F)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClF4N2O3S/c24-17-7-10-19(11-8-17)34(32,33)30(21(22(29)31)16-4-2-1-3-5-16)13-12-15-6-9-18(25)14-20(15)23(26,27)28/h1-11,14,21H,12-13H2,(H2,29,31)/t21-/m1/s1
InChIKeyYVLMRNKBKHZWIB-OAQYLSRUSA-N
MW514.93 g/mol
LogP4.96
Rot. Bonds8

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

(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide (PubChem CID 174522740) has the molecular formula C23H19ClF4N2O3S and a molecular weight of 514.93 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
PubChem CID174522740
Molecular FormulaC23H19ClF4N2O3S
Molecular Weight514.93 g/mol
Exact Mass514.07
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N(CCc1ccc(F)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClF4N2O3S/c24-17-7-10-19(11-8-17)34(32,33)30(21(22(29)31)16-4-2-1-3-5-16)13-12-15-6-9-18(25)14-20(15)23(26,27)28/h1-11,14,21H,12-13H2,(H2,29,31)/t21-/m1/s1
InChIKeyYVLMRNKBKHZWIB-OAQYLSRUSA-N
XLogP4.96
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.93
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508527
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
3-[[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid
CID 21075529
2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075524
2-[(4-chlorophenyl)sulfonyl-[(3,5-dimethylphenyl)methyl]amino]-2-phenylacetamide
CID 21075494
2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide
CID 21075488
2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 69322369
2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide
CID 21075497
2-[(4-chlorophenyl)sulfonyl-[(3-nitrophenyl)methyl]amino]-2-phenylacetamide
CID 21075502
2-[[4-butoxy-2-(trifluoromethyl)quinolin-6-yl]methyl-(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 21075566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide (CID 174522740) is (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide is NC(=O)[C@@H](c1ccccc1)N(CCc1ccc(F)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide?
The InChIKey is YVLMRNKBKHZWIB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19ClF4N2O3S/c24-17-7-10-19(11-8-17)34(32,33)30(21(22(29)31)16-4-2-1-3-5-16)13-12-15-6-9-18(25)14-20(15)23(26,27)28/h1-11,14,21H,12-13H2,(H2,29,31)/t21-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide has a molecular weight of 514.93 g/mol, XLogP of 4.96, 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-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 174522740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).