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

C23H20ClF3N2O4S — CID 174508550

IUPAC2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N(CCc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF3N2O4S/c24-18-8-12-20(13-9-18)34(31,32)29(21(22(28)30)17-4-2-1-3-5-17)15-14-16-6-10-19(11-7-16)33-23(25,26)27/h1-13,21H,14-15H2,(H2,28,30)
InChIKeyPCOYVGZDMZKVSN-UHFFFAOYSA-N
MW512.94 g/mol
LogP4.70
Rot. Bonds9

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

2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide (PubChem CID 174508550) has the molecular formula C23H20ClF3N2O4S and a molecular weight of 512.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide
PubChem CID174508550
Molecular FormulaC23H20ClF3N2O4S
Molecular Weight512.94 g/mol
Exact Mass512.08
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N(CCc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF3N2O4S/c24-18-8-12-20(13-9-18)34(31,32)29(21(22(28)30)17-4-2-1-3-5-17)15-14-16-6-10-19(11-7-16)33-23(25,26)27/h1-13,21H,14-15H2,(H2,28,30)
InChIKeyPCOYVGZDMZKVSN-UHFFFAOYSA-N
XLogP4.70
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.94
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide (CID 174508550) is 2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide is NC(=O)C(c1ccccc1)N(CCc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide?
The InChIKey is PCOYVGZDMZKVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O4S/c24-18-8-12-20(13-9-18)34(31,32)29(21(22(28)30)17-4-2-1-3-5-17)15-14-16-6-10-19(11-7-16)33-23(25,26)27/h1-13,21H,14-15H2,(H2,28,30).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide?
2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide has a molecular weight of 512.94 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 174508550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).