4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C26H25NO5S — CID 108703400

IUPAC4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C26H25NO5S/c1-3-13-27-23(22(25(29)26(27)30)24(28)21-10-7-14-33-21)18-11-12-19(31-2)20(15-18)32-16-17-8-5-4-6-9-17/h4-12,14-15,23,29H,3,13,16H2,1-2H3
InChIKeyTWGZUZPFJXXVFU-UHFFFAOYSA-N
MW463.56 g/mol
LogP5.32
Rot. Bonds9

About 4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108703400) has the molecular formula C26H25NO5S and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108703400
Molecular FormulaC26H25NO5S
Molecular Weight463.56 g/mol
Exact Mass463.15
IUPAC Name4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C26H25NO5S/c1-3-13-27-23(22(25(29)26(27)30)24(28)21-10-7-14-33-21)18-11-12-19(31-2)20(15-18)32-16-17-8-5-4-6-9-17/h4-12,14-15,23,29H,3,13,16H2,1-2H3
InChIKeyTWGZUZPFJXXVFU-UHFFFAOYSA-N
XLogP5.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 44857931
4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one
CID 108703194
2-(3-ethoxy-4-phenylmethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3376834
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4141020
2-(3,4-diethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3372731
(2S)-2-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1281446
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3690381
4-hydroxy-1-(2-phenylethyl)-2-(3-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3368340
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108703476
(2R)-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 41065239
4-hydroxy-2-(4-methoxyphenyl)-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3694971
(2R)-1-[3-(dimethylamino)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28768171

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108703400) is 4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of 4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is TWGZUZPFJXXVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5S/c1-3-13-27-23(22(25(29)26(27)30)24(28)21-10-7-14-33-21)18-11-12-19(31-2)20(15-18)32-16-17-8-5-4-6-9-17/h4-12,14-15,23,29H,3,13,16H2,1-2H3.
What are the key properties of 4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 463.56 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-methoxy-3-phenylmethoxyphenyl)-1-propyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108703400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).