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

C22H17ClF4N2O3S — CID 69322369

IUPAC2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
SMILESNC(=O)C(N[C@@H](c1ccc(F)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H17ClF4N2O3S/c23-14-6-9-16(10-7-14)33(31,32)21(17-11-8-15(24)12-18(17)22(25,26)27)29-19(20(28)30)13-4-2-1-3-5-13/h1-12,19,21,29H,(H2,28,30)/t19?,21-/m1/s1
InChIKeyBAOZZPOZXCDFMN-VGAJERRHSA-N
MW500.90 g/mol
LogP4.79
Rot. Bonds7

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

2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide (PubChem CID 69322369) has the molecular formula C22H17ClF4N2O3S and a molecular weight of 500.90 g/mol. Its IUPAC name is 2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
PubChem CID69322369
Molecular FormulaC22H17ClF4N2O3S
Molecular Weight500.90 g/mol
Exact Mass500.06
IUPAC Name2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
SMILESNC(=O)C(N[C@@H](c1ccc(F)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H17ClF4N2O3S/c23-14-6-9-16(10-7-14)33(31,32)21(17-11-8-15(24)12-18(17)22(25,26)27)29-19(20(28)30)13-4-2-1-3-5-13/h1-12,19,21,29H,(H2,28,30)/t19?,21-/m1/s1
InChIKeyBAOZZPOZXCDFMN-VGAJERRHSA-N
XLogP4.79
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.90
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide?
The IUPAC name of 2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide (CID 69322369) is 2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide.
What is the SMILES notation for 2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide?
The canonical SMILES for 2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide is NC(=O)C(N[C@@H](c1ccc(F)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide?
The InChIKey is BAOZZPOZXCDFMN-VGAJERRHSA-N. The full InChI is InChI=1S/C22H17ClF4N2O3S/c23-14-6-9-16(10-7-14)33(31,32)21(17-11-8-15(24)12-18(17)22(25,26)27)29-19(20(28)30)13-4-2-1-3-5-13/h1-12,19,21,29H,(H2,28,30)/t19?,21-/m1/s1.
What are the key properties of 2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide?
2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide has a molecular weight of 500.90 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-chlorophenyl)sulfonyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 69322369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).