2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide

C22H19N3OS — CID 18450549

IUPAC2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(-c3csc4ccnc(N)c34)cc2)c1
InChIInChI=1S/C22H19N3OS/c1-14-3-2-4-17(11-14)25-20(26)12-15-5-7-16(8-6-15)18-13-27-19-9-10-24-22(23)21(18)19/h2-11,13H,12H2,1H3,(H2,23,24)(H,25,26)
InChIKeyGVEFXOFPHJTMJZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.04
Rot. Bonds4

About 2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide

2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide (PubChem CID 18450549) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide
PubChem CID18450549
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(-c3csc4ccnc(N)c34)cc2)c1
InChIInChI=1S/C22H19N3OS/c1-14-3-2-4-17(11-14)25-20(26)12-15-5-7-16(8-6-15)18-13-27-19-9-10-24-22(23)21(18)19/h2-11,13H,12H2,1H3,(H2,23,24)(H,25,26)
InChIKeyGVEFXOFPHJTMJZ-UHFFFAOYSA-N
XLogP5.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide (CID 18450549) is 2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2ccc(-c3csc4ccnc(N)c34)cc2)c1.
What is the InChIKey of 2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide?
The InChIKey is GVEFXOFPHJTMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-14-3-2-4-17(11-14)25-20(26)12-15-5-7-16(8-6-15)18-13-27-19-9-10-24-22(23)21(18)19/h2-11,13H,12H2,1H3,(H2,23,24)(H,25,26).
What are the key properties of 2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide?
2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide has a molecular weight of 373.48 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 18450549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).