4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide

C15H11IN2O2S — CID 11761387

IUPAC4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1
InChIInChI=1S/C15H11IN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)
InChIKeyQHMOZKVAGIEXJR-UHFFFAOYSA-N
MW410.24 g/mol
LogP4.05
Rot. Bonds3

About 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide

4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 11761387) has the molecular formula C15H11IN2O2S and a molecular weight of 410.24 g/mol. Its IUPAC name is 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID11761387
Molecular FormulaC15H11IN2O2S
Molecular Weight410.24 g/mol
Exact Mass409.96
IUPAC Name4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1
InChIInChI=1S/C15H11IN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)
InChIKeyQHMOZKVAGIEXJR-UHFFFAOYSA-N
XLogP4.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide (CID 11761387) is 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1.
What is the InChIKey of 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is QHMOZKVAGIEXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19).
What are the key properties of 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 410.24 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 11761387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).