4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

C17H17NO3S2 — CID 108621827

IUPAC4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(Cc2cccs2)C1c1cccs1
InChIInChI=1S/C17H17NO3S2/c1-10(2)15(19)13-14(12-6-4-8-23-12)18(17(21)16(13)20)9-11-5-3-7-22-11/h3-8,10,14,20H,9H2,1-2H3
InChIKeyMFCCWWKNZGCRFW-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.93
Rot. Bonds5

About 4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108621827) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID108621827
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC Name4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(Cc2cccs2)C1c1cccs1
InChIInChI=1S/C17H17NO3S2/c1-10(2)15(19)13-14(12-6-4-8-23-12)18(17(21)16(13)20)9-11-5-3-7-22-11/h3-8,10,14,20H,9H2,1-2H3
InChIKeyMFCCWWKNZGCRFW-UHFFFAOYSA-N
XLogP3.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108641843
2-(2-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108644329
4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108578554
1-(4-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587725
1-(2,4-difluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108588247
4-hydroxy-3-propanoyl-2-pyridin-4-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108632042
1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 4662918
4-hydroxy-3-propanoyl-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108624986
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108661394
4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108627331
4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108634366
3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 146023647

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (CID 108621827) is 4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(Cc2cccs2)C1c1cccs1.
What is the InChIKey of 4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is MFCCWWKNZGCRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S2/c1-10(2)15(19)13-14(12-6-4-8-23-12)18(17(21)16(13)20)9-11-5-3-7-22-11/h3-8,10,14,20H,9H2,1-2H3.
What are the key properties of 4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 347.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-methylpropanoyl)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108621827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).