(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate

C19H19NO5S — CID 18123272

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
SMILESCC(=O)c1ccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)s1
InChIInChI=1S/C19H19NO5S/c1-13(21)15-7-8-16(26-15)19(23)25-17(14-5-3-2-4-6-14)18(22)20-9-11-24-12-10-20/h2-8,17H,9-12H2,1H3
InChIKeyBGMDBCZUCBAWGZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.71
Rot. Bonds5

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate (PubChem CID 18123272) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
PubChem CID18123272
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
SMILESCC(=O)c1ccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)s1
InChIInChI=1S/C19H19NO5S/c1-13(21)15-7-8-16(26-15)19(23)25-17(14-5-3-2-4-6-14)18(22)20-9-11-24-12-10-20/h2-8,17H,9-12H2,1H3
InChIKeyBGMDBCZUCBAWGZ-UHFFFAOYSA-N
XLogP2.71
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7716020
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
[(1R)-2-[8-(5-acetylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxo-1-phenylethyl] acetate
CID 74227486
[2-[8-(5-acetylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxo-1-phenylethyl] acetate
CID 3777695
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
CID 24519167
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7716217
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate
CID 18199494

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate (CID 18123272) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate is CC(=O)c1ccc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)s1.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate?
The InChIKey is BGMDBCZUCBAWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-13(21)15-7-8-16(26-15)19(23)25-17(14-5-3-2-4-6-14)18(22)20-9-11-24-12-10-20/h2-8,17H,9-12H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate is sourced from PubChem (CID 18123272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).