N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

C20H22F3N3O5S2 — CID 24979751

IUPACN-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C20H22F3N3O5S2/c1-25(13-17(27)24-16-5-3-2-4-15(16)20(21,22)23)18(28)12-14-6-7-19(32-14)33(29,30)26-8-10-31-11-9-26/h2-7H,8-13H2,1H3,(H,24,27)
InChIKeyOZNCYQXVGWTHAE-UHFFFAOYSA-N
MW505.54 g/mol
LogP2.43
Rot. Bonds7

About N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (PubChem CID 24979751) has the molecular formula C20H22F3N3O5S2 and a molecular weight of 505.54 g/mol. Its IUPAC name is N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
PubChem CID24979751
Molecular FormulaC20H22F3N3O5S2
Molecular Weight505.54 g/mol
Exact Mass505.10
IUPAC NameN-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C20H22F3N3O5S2/c1-25(13-17(27)24-16-5-3-2-4-15(16)20(21,22)23)18(28)12-14-6-7-19(32-14)33(29,30)26-8-10-31-11-9-26/h2-7H,8-13H2,1H3,(H,24,27)
InChIKeyOZNCYQXVGWTHAE-UHFFFAOYSA-N
XLogP2.43
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The IUPAC name of N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (CID 24979751) is N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The canonical SMILES for N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The InChIKey is OZNCYQXVGWTHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O5S2/c1-25(13-17(27)24-16-5-3-2-4-15(16)20(21,22)23)18(28)12-14-6-7-19(32-14)33(29,30)26-8-10-31-11-9-26/h2-7H,8-13H2,1H3,(H,24,27).
What are the key properties of N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide has a molecular weight of 505.54 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is sourced from PubChem (CID 24979751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).