5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde

C20H15NO2S2 — CID 101016767

IUPAC5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde
SMILESCOc1ccc(-n2c(-c3cccs3)ccc2-c2ccc(C=O)s2)cc1
InChIInChI=1S/C20H15NO2S2/c1-23-15-6-4-14(5-7-15)21-17(19-3-2-12-24-19)9-10-18(21)20-11-8-16(13-22)25-20/h2-13H,1H3
InChIKeyVULSLQJSTNGVFT-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.76
Rot. Bonds5

About 5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde

5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde (PubChem CID 101016767) has the molecular formula C20H15NO2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde
PubChem CID101016767
Molecular FormulaC20H15NO2S2
Molecular Weight365.48 g/mol
Exact Mass365.05
IUPAC Name5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde
SMILESCOc1ccc(-n2c(-c3cccs3)ccc2-c2ccc(C=O)s2)cc1
InChIInChI=1S/C20H15NO2S2/c1-23-15-6-4-14(5-7-15)21-17(19-3-2-12-24-19)9-10-18(21)20-11-8-16(13-22)25-20/h2-13H,1H3
InChIKeyVULSLQJSTNGVFT-UHFFFAOYSA-N
XLogP5.76
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde (CID 101016767) is 5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde is COc1ccc(-n2c(-c3cccs3)ccc2-c2ccc(C=O)s2)cc1.
What is the InChIKey of 5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde?
The InChIKey is VULSLQJSTNGVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S2/c1-23-15-6-4-14(5-7-15)21-17(19-3-2-12-24-19)9-10-18(21)20-11-8-16(13-22)25-20/h2-13H,1H3.
What are the key properties of 5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde?
5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde has a molecular weight of 365.48 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 101016767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).