2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one

C20H17NO3S — CID 11187254

IUPAC2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one
SMILESCOc1ccc(-c2cc3c(s2)CC(=O)N3c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H17NO3S/c1-23-15-7-3-13(4-8-15)18-11-17-19(25-18)12-20(22)21(17)14-5-9-16(24-2)10-6-14/h3-11H,12H2,1-2H3
InChIKeyXFLPMXNHWLACCV-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.65
Rot. Bonds4

About 2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one

2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one (PubChem CID 11187254) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one
PubChem CID11187254
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one
SMILESCOc1ccc(-c2cc3c(s2)CC(=O)N3c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H17NO3S/c1-23-15-7-3-13(4-8-15)18-11-17-19(25-18)12-20(22)21(17)14-5-9-16(24-2)10-6-14/h3-11H,12H2,1-2H3
InChIKeyXFLPMXNHWLACCV-UHFFFAOYSA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one?
The IUPAC name of 2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one (CID 11187254) is 2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one.
What is the SMILES notation for 2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one?
The canonical SMILES for 2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one is COc1ccc(-c2cc3c(s2)CC(=O)N3c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one?
The InChIKey is XFLPMXNHWLACCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-23-15-7-3-13(4-8-15)18-11-17-19(25-18)12-20(22)21(17)14-5-9-16(24-2)10-6-14/h3-11H,12H2,1-2H3.
What are the key properties of 2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one?
2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one has a molecular weight of 351.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenyl)-6H-thieno[3,2-b]pyrrol-5-one is sourced from PubChem (CID 11187254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).