2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide

C22H19ClF2N2O4S — CID 21075497

IUPAC2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N(Cc1cccc(OC(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClF2N2O4S/c23-17-9-11-19(12-10-17)32(29,30)27(20(21(26)28)16-6-2-1-3-7-16)14-15-5-4-8-18(13-15)31-22(24)25/h1-13,20,22H,14H2,(H2,26,28)
InChIKeyOINIEXAPVGKRBJ-UHFFFAOYSA-N
MW480.92 g/mol
LogP4.36
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide

2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide (PubChem CID 21075497) has the molecular formula C22H19ClF2N2O4S and a molecular weight of 480.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide
PubChem CID21075497
Molecular FormulaC22H19ClF2N2O4S
Molecular Weight480.92 g/mol
Exact Mass480.07
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N(Cc1cccc(OC(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClF2N2O4S/c23-17-9-11-19(12-10-17)32(29,30)27(20(21(26)28)16-6-2-1-3-7-16)14-15-5-4-8-18(13-15)31-22(24)25/h1-13,20,22H,14H2,(H2,26,28)
InChIKeyOINIEXAPVGKRBJ-UHFFFAOYSA-N
XLogP4.36
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide
CID 21075488
3-[[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid
CID 21075529
2-[(4-chlorophenyl)sulfonyl-[(3-nitrophenyl)methyl]amino]-2-phenylacetamide
CID 21075502
2-[(4-chlorophenyl)sulfonyl-[(3,5-dimethylphenyl)methyl]amino]-2-phenylacetamide
CID 21075494
2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075524
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
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-methoxyphenyl)methyl]amino]-4-methylpentanamide
CID 71462262
2-[(4-chlorophenyl)sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075505
2-[[4-butoxy-2-(trifluoromethyl)quinolin-6-yl]methyl-(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 21075566
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide
CID 11620236
(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508527

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide (CID 21075497) is 2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide is NC(=O)C(c1ccccc1)N(Cc1cccc(OC(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide?
The InChIKey is OINIEXAPVGKRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O4S/c23-17-9-11-19(12-10-17)32(29,30)27(20(21(26)28)16-6-2-1-3-7-16)14-15-5-4-8-18(13-15)31-22(24)25/h1-13,20,22H,14H2,(H2,26,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide?
2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide has a molecular weight of 480.92 g/mol, XLogP of 4.36, 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-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 21075497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).