2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

C21H24F3N3O4S2 — CID 24817867

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H24F3N3O4S2/c22-21(23,24)16-2-1-3-17(14-16)25-6-8-26(9-7-25)19(28)15-18-4-5-20(32-18)33(29,30)27-10-12-31-13-11-27/h1-5,14H,6-13,15H2
InChIKeyNODDSPSERLHADX-UHFFFAOYSA-N
MW503.57 g/mol
LogP2.68
Rot. Bonds5

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 24817867) has the molecular formula C21H24F3N3O4S2 and a molecular weight of 503.57 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID24817867
Molecular FormulaC21H24F3N3O4S2
Molecular Weight503.57 g/mol
Exact Mass503.12
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H24F3N3O4S2/c22-21(23,24)16-2-1-3-17(14-16)25-6-8-26(9-7-25)19(28)15-18-4-5-20(32-18)33(29,30)27-10-12-31-13-11-27/h1-5,14H,6-13,15H2
InChIKeyNODDSPSERLHADX-UHFFFAOYSA-N
XLogP2.68
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2084205
N-(2-Oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-YL}ethyl)thiophene-2-sulfonamide
CID 16031689
N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 16286672
N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
CID 24980486
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 24980722
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 25162194
N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2988947
(1,1-Dioxothian-4-yl)-[2-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 118013345
(1,1-Dioxothian-4-yl)-[2-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 118013371
N-(4-morpholin-4-ylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2437682
1-{1-[(5-Bromothiophen-2-YL)sulfonyl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 15989571
N-benzyl-2-(5-morpholinosulfonyl-2-thienyl)-N-(m-tolyl)acetamide
CID 16259000

Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 24817867) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is NODDSPSERLHADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4S2/c22-21(23,24)16-2-1-3-17(14-16)25-6-8-26(9-7-25)19(28)15-18-4-5-20(32-18)33(29,30)27-10-12-31-13-11-27/h1-5,14H,6-13,15H2.
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 503.57 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 24817867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).