(2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

C24H23NO5S2 — CID 95052674

IUPAC(2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESCCOc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C24H23NO5S2/c1-3-30-18-10-8-17(9-11-18)21-23(32(28,29)20-12-6-16(2)7-13-20)22(26)24(27)25(21)15-19-5-4-14-31-19/h4-14,21,26H,3,15H2,1-2H3/t21-/m0/s1
InChIKeyYLYINELFRXQVBS-NRFANRHFSA-N
MW469.58 g/mol
LogP4.78
Rot. Bonds7

About (2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

(2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 95052674) has the molecular formula C24H23NO5S2 and a molecular weight of 469.58 g/mol. Its IUPAC name is (2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID95052674
Molecular FormulaC24H23NO5S2
Molecular Weight469.58 g/mol
Exact Mass469.10
IUPAC Name(2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESCCOc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1
InChIInChI=1S/C24H23NO5S2/c1-3-30-18-10-8-17(9-11-18)21-23(32(28,29)20-12-6-16(2)7-13-20)22(26)24(27)25(21)15-19-5-4-14-31-19/h4-14,21,26H,3,15H2,1-2H3/t21-/m0/s1
InChIKeyYLYINELFRXQVBS-NRFANRHFSA-N
XLogP4.78
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 30845141
(2S)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2-(4-methylsulfanylphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 95052664
3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 53017845
(2R)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052659
(2S)-1-benzyl-4-hydroxy-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-pyrrol-5-one
CID 95052540
(2R)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 95052535
(4Z)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,3-dione
CID 108616138
(2S)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052566
(2S)-1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052634
2-(4-chlorophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017801
(2S)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-2-(4-methylsulfanylphenyl)-2H-pyrrol-5-one
CID 95052584
(2S)-2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 95052654

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (CID 95052674) is (2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is CCOc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccs2)cc1.
What is the InChIKey of (2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is YLYINELFRXQVBS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23NO5S2/c1-3-30-18-10-8-17(9-11-18)21-23(32(28,29)20-12-6-16(2)7-13-20)22(26)24(27)25(21)15-19-5-4-14-31-19/h4-14,21,26H,3,15H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
(2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 469.58 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 95052674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).