4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide

C22H19N3O2S — CID 76852973

IUPAC4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCOCc1ccc(-c2ccc(Nc3cncc4sc(C(N)=O)cc34)cc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-13-14-2-4-15(5-3-14)16-6-8-17(9-7-16)25-19-11-24-12-21-18(19)10-20(28-21)22(23)26/h2-12,25H,13H2,1H3,(H2,23,26)
InChIKeyQQMJSYORDBOGAE-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.95
Rot. Bonds6

About 4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide

4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 76852973) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID76852973
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCOCc1ccc(-c2ccc(Nc3cncc4sc(C(N)=O)cc34)cc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-13-14-2-4-15(5-3-14)16-6-8-17(9-7-16)25-19-11-24-12-21-18(19)10-20(28-21)22(23)26/h2-12,25H,13H2,1H3,(H2,23,26)
InChIKeyQQMJSYORDBOGAE-UHFFFAOYSA-N
XLogP4.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide (CID 76852973) is 4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide is COCc1ccc(-c2ccc(Nc3cncc4sc(C(N)=O)cc34)cc2)cc1.
What is the InChIKey of 4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is QQMJSYORDBOGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-13-14-2-4-15(5-3-14)16-6-8-17(9-7-16)25-19-11-24-12-21-18(19)10-20(28-21)22(23)26/h2-12,25H,13H2,1H3,(H2,23,26).
What are the key properties of 4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide?
4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 76852973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).