[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate

C21H24N2O5S — CID 7774827

IUPAC[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C21H24N2O5S/c1-22(2)16-5-3-4-15(12-16)21(26)28-14-18(24)19-7-6-17(29-19)13-20(25)23-8-10-27-11-9-23/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyKCESZLDJZWQSJU-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.26
Rot. Bonds7

About [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate

[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate (PubChem CID 7774827) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate
PubChem CID7774827
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C21H24N2O5S/c1-22(2)16-5-3-4-15(12-16)21(26)28-14-18(24)19-7-6-17(29-19)13-20(25)23-8-10-27-11-9-23/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyKCESZLDJZWQSJU-UHFFFAOYSA-N
XLogP2.26
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate 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] 2,6-difluorobenzoate
CID 7628066
phenacyl 3-(dimethylamino)benzoate
CID 624872
[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 9228798
(2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate
CID 2418496
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2481637
2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
CID 8673493
(2-morpholin-4-yl-2-oxoethyl) 3-(methylsulfonylmethyl)benzoate
CID 8836549
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 8530122
(2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204669
phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 18281736

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate?
The IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate (CID 7774827) is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate.
What is the SMILES notation for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate?
The canonical SMILES for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate is CN(C)c1cccc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)c1.
What is the InChIKey of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate?
The InChIKey is KCESZLDJZWQSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-22(2)16-5-3-4-15(12-16)21(26)28-14-18(24)19-7-6-17(29-19)13-20(25)23-8-10-27-11-9-23/h3-7,12H,8-11,13-14H2,1-2H3.
What are the key properties of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate?
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate has a molecular weight of 416.50 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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-(dimethylamino)benzoate is sourced from PubChem (CID 7774827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).