(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C28H30N2O4S — CID 27303930

IUPAC(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H30N2O4S/c1-3-29(4-2)16-17-30-25(24(27(32)28(30)33)26(31)23-11-8-18-35-23)21-12-14-22(15-13-21)34-19-20-9-6-5-7-10-20/h5-15,18,25,32H,3-4,16-17,19H2,1-2H3/t25-/m1/s1
InChIKeyYSESOSVZWJAQBO-RUZDIDTESA-N
MW490.63 g/mol
LogP5.25
Rot. Bonds11

About (2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 27303930) has the molecular formula C28H30N2O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is (2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID27303930
Molecular FormulaC28H30N2O4S
Molecular Weight490.63 g/mol
Exact Mass490.19
IUPAC Name(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H30N2O4S/c1-3-29(4-2)16-17-30-25(24(27(32)28(30)33)26(31)23-11-8-18-35-23)21-12-14-22(15-13-21)34-19-20-9-6-5-7-10-20/h5-15,18,25,32H,3-4,16-17,19H2,1-2H3/t25-/m1/s1
InChIKeyYSESOSVZWJAQBO-RUZDIDTESA-N
XLogP5.25
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28765769
(2R)-1-benzyl-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1281508
(2S)-1-[3-(diethylamino)propyl]-4-hydroxy-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 9498540
1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2926234
(2S)-1-[2-(diethylamino)ethyl]-2-(3-ethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 6553032
(2R)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 7472674
(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28799556
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 2926311
(2S)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1295249
4-hydroxy-2-(4-methoxyphenyl)-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3694971
4-hydroxy-1-(2-phenylethyl)-2-(3-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3368340
(2S)-2-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 7381816

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 27303930) is (2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is YSESOSVZWJAQBO-RUZDIDTESA-N. The full InChI is InChI=1S/C28H30N2O4S/c1-3-29(4-2)16-17-30-25(24(27(32)28(30)33)26(31)23-11-8-18-35-23)21-12-14-22(15-13-21)34-19-20-9-6-5-7-10-20/h5-15,18,25,32H,3-4,16-17,19H2,1-2H3/t25-/m1/s1.
What are the key properties of (2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 490.63 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 27303930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).