(2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one

C17H15NO5S — CID 7236348

IUPAC(2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
SMILESCOc1ccc(OC)c([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)c1
InChIInChI=1S/C17H15NO5S/c1-22-9-5-6-11(23-2)10(8-9)14-13(16(20)17(21)18-14)15(19)12-4-3-7-24-12/h3-8,14,20H,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyVOZUQYDGWLHPNV-CQSZACIVSA-N
MW345.38 g/mol
LogP2.63
Rot. Bonds5

About (2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one

(2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one (PubChem CID 7236348) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
PubChem CID7236348
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name(2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
SMILESCOc1ccc(OC)c([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)c1
InChIInChI=1S/C17H15NO5S/c1-22-9-5-6-11(23-2)10(8-9)14-13(16(20)17(21)18-14)15(19)12-4-3-7-24-12/h3-8,14,20H,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyVOZUQYDGWLHPNV-CQSZACIVSA-N
XLogP2.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one
CID 7236352
2-(2,5-dimethoxyphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3894246
(2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
CID 7236355
(4R)-5-benzoyl-4-(2,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7800722
2-(2,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4633721
2-(2,5-dimethoxyphenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4977983
N-[(4S)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]thiophene-2-carboxamide
CID 92705426
1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108699734
1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 26817398
thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
CID 93191545
(2,4-dimethoxyphenyl) thiophene-2-carboxylate
CID 59558858
(2S)-2-(2,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1155360

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one (CID 7236348) is (2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one is COc1ccc(OC)c([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)c1.
What is the InChIKey of (2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The InChIKey is VOZUQYDGWLHPNV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-22-9-5-6-11(23-2)10(8-9)14-13(16(20)17(21)18-14)15(19)12-4-3-7-24-12/h3-8,14,20H,1-2H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
(2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one has a molecular weight of 345.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 7236348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).