[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate

C19H17F2NO5S — CID 7628066

IUPAC[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1F)c1ccc(CC(=O)N2CCOCC2)s1
InChIInChI=1S/C19H17F2NO5S/c20-13-2-1-3-14(21)18(13)19(25)27-11-15(23)16-5-4-12(28-16)10-17(24)22-6-8-26-9-7-22/h1-5H,6-11H2
InChIKeyHSQJLUQDJCBAFH-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.47
Rot. Bonds6

About [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate

[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate (PubChem CID 7628066) has the molecular formula C19H17F2NO5S and a molecular weight of 409.41 g/mol. Its IUPAC name is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate.

Molecular Properties

Compound Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate
PubChem CID7628066
Molecular FormulaC19H17F2NO5S
Molecular Weight409.41 g/mol
Exact Mass409.08
IUPAC Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1F)c1ccc(CC(=O)N2CCOCC2)s1
InChIInChI=1S/C19H17F2NO5S/c20-13-2-1-3-14(21)18(13)19(25)27-11-15(23)16-5-4-12(28-16)10-17(24)22-6-8-26-9-7-22/h1-5H,6-11H2
InChIKeyHSQJLUQDJCBAFH-UHFFFAOYSA-N
XLogP2.47
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate with MolForge

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Related Compounds

[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387099
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7488735
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7774827
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540
2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
CID 8673493
3-[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7488076
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
2-[5-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
CID 7486900
2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952550
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,6-difluorobenzoate
CID 9203305
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate?
The IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate (CID 7628066) is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate.
What is the SMILES notation for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate?
The canonical SMILES for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate is O=C(COC(=O)c1c(F)cccc1F)c1ccc(CC(=O)N2CCOCC2)s1.
What is the InChIKey of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate?
The InChIKey is HSQJLUQDJCBAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO5S/c20-13-2-1-3-14(21)18(13)19(25)27-11-15(23)16-5-4-12(28-16)10-17(24)22-6-8-26-9-7-22/h1-5H,6-11H2.
What are the key properties of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate?
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate has a molecular weight of 409.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate is sourced from PubChem (CID 7628066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).