5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde

C20H19NO3S2 — CID 138454577

IUPAC5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde
SMILESCOCCOCCn1c2ccccc2c2sc(-c3ccc(C=O)s3)cc21
InChIInChI=1S/C20H19NO3S2/c1-23-10-11-24-9-8-21-16-5-3-2-4-15(16)20-17(21)12-19(26-20)18-7-6-14(13-22)25-18/h2-7,12-13H,8-11H2,1H3
InChIKeyIRNMNIBEDSUBSN-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.06
Rot. Bonds8

About 5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde

5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde (PubChem CID 138454577) has the molecular formula C20H19NO3S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde
PubChem CID138454577
Molecular FormulaC20H19NO3S2
Molecular Weight385.51 g/mol
Exact Mass385.08
IUPAC Name5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde
SMILESCOCCOCCn1c2ccccc2c2sc(-c3ccc(C=O)s3)cc21
InChIInChI=1S/C20H19NO3S2/c1-23-10-11-24-9-8-21-16-5-3-2-4-15(16)20-17(21)12-19(26-20)18-7-6-14(13-22)25-18/h2-7,12-13H,8-11H2,1H3
InChIKeyIRNMNIBEDSUBSN-UHFFFAOYSA-N
XLogP5.06
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde (CID 138454577) is 5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde is COCCOCCn1c2ccccc2c2sc(-c3ccc(C=O)s3)cc21.
What is the InChIKey of 5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde?
The InChIKey is IRNMNIBEDSUBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S2/c1-23-10-11-24-9-8-21-16-5-3-2-4-15(16)20-17(21)12-19(26-20)18-7-6-14(13-22)25-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde?
5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde has a molecular weight of 385.51 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-methoxyethoxy)ethyl]thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 138454577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).