2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide

C22H18ClF3N2O3S2 — CID 21075524

IUPAC2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N(Cc1ccc(SC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClF3N2O3S2/c23-17-8-12-19(13-9-17)33(30,31)28(20(21(27)29)16-4-2-1-3-5-16)14-15-6-10-18(11-7-15)32-22(24,25)26/h1-13,20H,14H2,(H2,27,29)
InChIKeyYVLWCZJPHXEGRA-UHFFFAOYSA-N
MW514.98 g/mol
LogP5.37
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide

2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide (PubChem CID 21075524) has the molecular formula C22H18ClF3N2O3S2 and a molecular weight of 514.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide
PubChem CID21075524
Molecular FormulaC22H18ClF3N2O3S2
Molecular Weight514.98 g/mol
Exact Mass514.04
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N(Cc1ccc(SC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClF3N2O3S2/c23-17-8-12-19(13-9-17)33(30,31)28(20(21(27)29)16-4-2-1-3-5-16)14-15-6-10-18(11-7-15)32-22(24,25)26/h1-13,20H,14H2,(H2,27,29)
InChIKeyYVLWCZJPHXEGRA-UHFFFAOYSA-N
XLogP5.37
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.98
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid
CID 21075529
2-[(4-chlorophenyl)sulfonyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075487
2-[(4-chlorophenyl)sulfonyl-[(3,5-dimethylphenyl)methyl]amino]-2-phenylacetamide
CID 21075494
2-[(4-chlorophenyl)sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075505
2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide
CID 21075497
2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508550
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide
CID 11620236
2-[(4-chlorophenyl)sulfonyl-[(3-nitrophenyl)methyl]amino]-2-phenylacetamide
CID 21075502
(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508527
2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide
CID 21075488
2-[[4-butoxy-2-(trifluoromethyl)quinolin-6-yl]methyl-(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 21075566
(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
CID 174522740

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide (CID 21075524) is 2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide is NC(=O)C(c1ccccc1)N(Cc1ccc(SC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide?
The InChIKey is YVLWCZJPHXEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O3S2/c23-17-8-12-19(13-9-17)33(30,31)28(20(21(27)29)16-4-2-1-3-5-16)14-15-6-10-18(11-7-15)32-22(24,25)26/h1-13,20H,14H2,(H2,27,29).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide?
2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide has a molecular weight of 514.98 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 21075524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).