4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C21H22N2O4S — CID 2909953

IUPAC4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1)c1cccs1
InChIInChI=1S/C21H22N2O4S/c24-19(16-7-4-14-28-16)17-18(15-5-2-1-3-6-15)23(21(26)20(17)25)9-8-22-10-12-27-13-11-22/h1-7,14,18,25H,8-13H2
InChIKeyCTYNBVVBUYNCFF-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.66
Rot. Bonds6

About 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2909953) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2909953
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1)c1cccs1
InChIInChI=1S/C21H22N2O4S/c24-19(16-7-4-14-28-16)17-18(15-5-2-1-3-6-15)23(21(26)20(17)25)9-8-22-10-12-27-13-11-22/h1-7,14,18,25H,8-13H2
InChIKeyCTYNBVVBUYNCFF-UHFFFAOYSA-N
XLogP2.66
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-thienyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 663185
4-(4''-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 44389246
3-Hydroxy-5-phenyl-4-(thiophene-2-carbonyl)-1,5-dihydro-pyrrol-2-one
CID 647511
N-[1-(Morpholine-4-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2262661
5-(3-bromophenyl)-3-hydroxy-1-(2-morpholin-4-ylethyl)-4-(thien-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2908193
5-(4-Fluoro-phenyl)-3-hydroxy-1-(2-morpholin-4-yl-ethyl)-4-(thiophene-2-carbonyl)-1,5-dihydro-pyrrol-2-one
CID 2910300
N-[2-[[2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3215806
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzamide
CID 9550302
(4-fluorophenyl)-[1-[(3R,4R)-4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone;oxalic acid
CID 70686209
3-hydroxy-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909582
4-tert-butyl-N-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]benzamide
CID 16806519
5-(2-Fluorophenyl)-3-hydroxy-1-(2-(4-morpholinyl)ethyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2908455

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2909953) is 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1)c1cccs1.
What is the InChIKey of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is CTYNBVVBUYNCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c24-19(16-7-4-14-28-16)17-18(15-5-2-1-3-6-15)23(21(26)20(17)25)9-8-22-10-12-27-13-11-22/h1-7,14,18,25H,8-13H2.
What are the key properties of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 398.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2909953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).