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

C19H22N2O3S2 — CID 2926311

IUPAC1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESCCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1cccs1
InChIInChI=1S/C19H22N2O3S2/c1-3-20(4-2)9-10-21-16(13-7-5-11-25-13)15(18(23)19(21)24)17(22)14-8-6-12-26-14/h5-8,11-12,16,23H,3-4,9-10H2,1-2H3
InChIKeyXIELXDZRBKXPID-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.73
Rot. Bonds8

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

1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 2926311) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID2926311
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESCCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1cccs1
InChIInChI=1S/C19H22N2O3S2/c1-3-20(4-2)9-10-21-16(13-7-5-11-25-13)15(18(23)19(21)24)17(22)14-8-6-12-26-14/h5-8,11-12,16,23H,3-4,9-10H2,1-2H3
InChIKeyXIELXDZRBKXPID-UHFFFAOYSA-N
XLogP3.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2926234
1-[2-(diethylamino)ethyl]-4-hydroxy-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2926212
(2S)-2-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 7381816
(2S)-1-[2-(diethylamino)ethyl]-2-(3-ethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 6553032
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 2918309
1-[2-(diethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2926224
(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28765769
(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28799556
(2R)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 27303930
4-hydroxy-1-(3-propan-2-yloxypropyl)-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 6488567
1-[2-(diethylamino)ethyl]-4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3371244
(2S)-1-[3-(diethylamino)propyl]-4-hydroxy-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 9498540

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one (CID 2926311) is 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one is CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1cccs1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is XIELXDZRBKXPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-3-20(4-2)9-10-21-16(13-7-5-11-25-13)15(18(23)19(21)24)17(22)14-8-6-12-26-14/h5-8,11-12,16,23H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 390.53 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 2926311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).