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

C20H21NO6S — CID 7488735

IUPAC[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(OCC(=O)c1ccc(CC(=O)N2CCOCC2)s1)c1ccc(CO)cc1
InChIInChI=1S/C20H21NO6S/c22-12-14-1-3-15(4-2-14)20(25)27-13-17(23)18-6-5-16(28-18)11-19(24)21-7-9-26-10-8-21/h1-6,22H,7-13H2
InChIKeyURFSGODJQQOODH-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.68
Rot. Bonds7

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

[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate (PubChem CID 7488735) has the molecular formula C20H21NO6S and a molecular weight of 403.46 g/mol. Its IUPAC name is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate
PubChem CID7488735
Molecular FormulaC20H21NO6S
Molecular Weight403.46 g/mol
Exact Mass403.11
IUPAC Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(OCC(=O)c1ccc(CC(=O)N2CCOCC2)s1)c1ccc(CO)cc1
InChIInChI=1S/C20H21NO6S/c22-12-14-1-3-15(4-2-14)20(25)27-13-17(23)18-6-5-16(28-18)11-19(24)21-7-9-26-10-8-21/h1-6,22H,7-13H2
InChIKeyURFSGODJQQOODH-UHFFFAOYSA-N
XLogP1.68
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)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] 2,6-difluorobenzoate
CID 7628066
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7774827
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 2416378
2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
CID 8673493
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
ethyl 4-[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]piperazine-1-carboxylate
CID 7871826
(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607617
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-morpholin-4-yl-2-oxoethyl) 4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 7197127
(2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate
CID 2418496
2-[5-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
CID 7486900

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate (CID 7488735) is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate is O=C(OCC(=O)c1ccc(CC(=O)N2CCOCC2)s1)c1ccc(CO)cc1.
What is the InChIKey of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The InChIKey is URFSGODJQQOODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6S/c22-12-14-1-3-15(4-2-14)20(25)27-13-17(23)18-6-5-16(28-18)11-19(24)21-7-9-26-10-8-21/h1-6,22H,7-13H2.
What are the key properties of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate?
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate has a molecular weight of 403.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 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] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 7488735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).