2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide

C20H23F3N2O4S — CID 47004382

IUPAC2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H23F3N2O4S/c1-13-9-14(2)19(15(3)10-13)30(27,28)25(11-18(26)24-12-20(21,22)23)16-5-7-17(29-4)8-6-16/h5-10H,11-12H2,1-4H3,(H,24,26)
InChIKeyMXEOSERUQIEDKF-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.49
Rot. Bonds7

About 2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47004382) has the molecular formula C20H23F3N2O4S and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47004382
Molecular FormulaC20H23F3N2O4S
Molecular Weight444.48 g/mol
Exact Mass444.13
IUPAC Name2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H23F3N2O4S/c1-13-9-14(2)19(15(3)10-13)30(27,28)25(11-18(26)24-12-20(21,22)23)16-5-7-17(29-4)8-6-16/h5-10H,11-12H2,1-4H3,(H,24,26)
InChIKeyMXEOSERUQIEDKF-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide
CID 30883222
2-(4-methoxy-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 1318164
N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 43872231
N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858805
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
CID 2286489
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30214602
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1324576
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858755
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51343966
N-[(2-fluorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 53280530
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 2231836
2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897023

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 47004382) is 2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide is COc1ccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MXEOSERUQIEDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4S/c1-13-9-14(2)19(15(3)10-13)30(27,28)25(11-18(26)24-12-20(21,22)23)16-5-7-17(29-4)8-6-16/h5-10H,11-12H2,1-4H3,(H,24,26).
What are the key properties of 2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 444.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(2,4,6-trimethylphenyl)sulfonylanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47004382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).