1-(5-formylthiophen-3-yl)indole-7-carboxamide

C14H10N2O2S — CID 142779196

IUPAC1-(5-formylthiophen-3-yl)indole-7-carboxamide
SMILESNC(=O)c1cccc2ccn(-c3csc(C=O)c3)c12
InChIInChI=1S/C14H10N2O2S/c15-14(18)12-3-1-2-9-4-5-16(13(9)12)10-6-11(7-17)19-8-10/h1-8H,(H2,15,18)
InChIKeyAHXKODVLRPDDNL-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.60
Rot. Bonds3

About 1-(5-formylthiophen-3-yl)indole-7-carboxamide

1-(5-formylthiophen-3-yl)indole-7-carboxamide (PubChem CID 142779196) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(5-formylthiophen-3-yl)indole-7-carboxamide.

Molecular Properties

Compound Name1-(5-formylthiophen-3-yl)indole-7-carboxamide
PubChem CID142779196
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name1-(5-formylthiophen-3-yl)indole-7-carboxamide
SMILESNC(=O)c1cccc2ccn(-c3csc(C=O)c3)c12
InChIInChI=1S/C14H10N2O2S/c15-14(18)12-3-1-2-9-4-5-16(13(9)12)10-6-11(7-17)19-8-10/h1-8H,(H2,15,18)
InChIKeyAHXKODVLRPDDNL-UHFFFAOYSA-N
XLogP2.60
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-formylthiophen-3-yl)indole-7-carboxamide?
The IUPAC name of 1-(5-formylthiophen-3-yl)indole-7-carboxamide (CID 142779196) is 1-(5-formylthiophen-3-yl)indole-7-carboxamide.
What is the SMILES notation for 1-(5-formylthiophen-3-yl)indole-7-carboxamide?
The canonical SMILES for 1-(5-formylthiophen-3-yl)indole-7-carboxamide is NC(=O)c1cccc2ccn(-c3csc(C=O)c3)c12.
What is the InChIKey of 1-(5-formylthiophen-3-yl)indole-7-carboxamide?
The InChIKey is AHXKODVLRPDDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c15-14(18)12-3-1-2-9-4-5-16(13(9)12)10-6-11(7-17)19-8-10/h1-8H,(H2,15,18).
What are the key properties of 1-(5-formylthiophen-3-yl)indole-7-carboxamide?
1-(5-formylthiophen-3-yl)indole-7-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-formylthiophen-3-yl)indole-7-carboxamide is sourced from PubChem (CID 142779196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).