[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate

C20H20FNO5S — CID 9387099

IUPAC[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cc1F
InChIInChI=1S/C20H20FNO5S/c1-13-2-3-14(10-16(13)21)20(25)27-12-17(23)18-5-4-15(28-18)11-19(24)22-6-8-26-9-7-22/h2-5,10H,6-9,11-12H2,1H3
InChIKeyIVYFTQJOANKLAM-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.64
Rot. Bonds6

About [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate

[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate (PubChem CID 9387099) has the molecular formula C20H20FNO5S and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate.

Molecular Properties

Compound Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
PubChem CID9387099
Molecular FormulaC20H20FNO5S
Molecular Weight405.45 g/mol
Exact Mass405.10
IUPAC Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cc1F
InChIInChI=1S/C20H20FNO5S/c1-13-2-3-14(10-16(13)21)20(25)27-12-17(23)18-5-4-15(28-18)11-19(24)22-6-8-26-9-7-22/h2-5,10H,6-9,11-12H2,1H3
InChIKeyIVYFTQJOANKLAM-UHFFFAOYSA-N
XLogP2.64
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate with MolForge

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Related Compounds

[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] 2,6-difluorobenzoate
CID 7628066
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7774827
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387105
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-fluoro-4-methylbenzoate
CID 9386955
2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
CID 8673493
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 18158083
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 3671172
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387316
(2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530031
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
3-fluoro-4-methyl-N-[2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]ethyl]benzamide
CID 55545871

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
The IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate (CID 9387099) is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate.
What is the SMILES notation for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
The canonical SMILES for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cc1F.
What is the InChIKey of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
The InChIKey is IVYFTQJOANKLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5S/c1-13-2-3-14(10-16(13)21)20(25)27-12-17(23)18-5-4-15(28-18)11-19(24)22-6-8-26-9-7-22/h2-5,10H,6-9,11-12H2,1H3.
What are the key properties of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate has a molecular weight of 405.45 g/mol, XLogP of 2.64, 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] 3-fluoro-4-methylbenzoate is sourced from PubChem (CID 9387099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).