2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C21H24F3N3O4S2 — CID 24980124

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C21H24F3N3O4S2/c22-21(23,24)15-3-5-18(26-7-1-2-8-26)17(13-15)25-19(28)14-16-4-6-20(32-16)33(29,30)27-9-11-31-12-10-27/h3-6,13H,1-2,7-12,14H2,(H,25,28)
InChIKeyPVGPXUGVSRYULK-UHFFFAOYSA-N
MW503.57 g/mol
LogP3.57
Rot. Bonds6

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 24980124) 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)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID24980124
Molecular FormulaC21H24F3N3O4S2
Molecular Weight503.57 g/mol
Exact Mass503.12
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C21H24F3N3O4S2/c22-21(23,24)15-3-5-18(26-7-1-2-8-26)17(13-15)25-19(28)14-16-4-6-20(32-16)33(29,30)27-9-11-31-12-10-27/h3-6,13H,1-2,7-12,14H2,(H,25,28)
InChIKeyPVGPXUGVSRYULK-UHFFFAOYSA-N
XLogP3.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 24980124) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cc(C(F)(F)F)ccc1N1CCCC1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PVGPXUGVSRYULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4S2/c22-21(23,24)15-3-5-18(26-7-1-2-8-26)17(13-15)25-19(28)14-16-4-6-20(32-16)33(29,30)27-9-11-31-12-10-27/h3-6,13H,1-2,7-12,14H2,(H,25,28).
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 503.57 g/mol, XLogP of 3.57, 6 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-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24980124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).