2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide

C21H24F3N3O5S2 — CID 25162194

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C21H24F3N3O5S2/c1-2-7-26(13-17(28)25-16-5-4-15(22)20(23)21(16)24)18(29)12-14-3-6-19(33-14)34(30,31)27-8-10-32-11-9-27/h3-6H,2,7-13H2,1H3,(H,25,28)
InChIKeyBBGJTGBCWJBVLZ-UHFFFAOYSA-N
MW519.57 g/mol
LogP2.61
Rot. Bonds9

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide (PubChem CID 25162194) has the molecular formula C21H24F3N3O5S2 and a molecular weight of 519.57 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
PubChem CID25162194
Molecular FormulaC21H24F3N3O5S2
Molecular Weight519.57 g/mol
Exact Mass519.11
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C21H24F3N3O5S2/c1-2-7-26(13-17(28)25-16-5-4-15(22)20(23)21(16)24)18(29)12-14-3-6-19(33-14)34(30,31)27-8-10-32-11-9-27/h3-6H,2,7-13H2,1H3,(H,25,28)
InChIKeyBBGJTGBCWJBVLZ-UHFFFAOYSA-N
XLogP2.61
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.57
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 1238883
N-(2-morpholin-4-ylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2084205
N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2414996
1-[4-(4-Fluorophenyl)-1-piperazinyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thienyl]ethanone
CID 2432693
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2510848
N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4318851
N-(3,4-difluorophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 4443250
N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9409506
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15987763
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 16261541
N-(2-((4-(2-fluorophenyl)piperazin-1-yl)sulfonyl)ethyl)-2-(thiophen-2-yl)acetamide
CID 18565393
N1-(2,4-difluorophenyl)-N2-(2-(1-(thiophen-2-ylsulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 18574459

Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide (CID 25162194) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The InChIKey is BBGJTGBCWJBVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O5S2/c1-2-7-26(13-17(28)25-16-5-4-15(22)20(23)21(16)24)18(29)12-14-3-6-19(33-14)34(30,31)27-8-10-32-11-9-27/h3-6H,2,7-13H2,1H3,(H,25,28).
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide has a molecular weight of 519.57 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide is sourced from PubChem (CID 25162194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).