6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C22H22N2O2S — CID 55858839

About 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 55858839) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• PubChem CID: 55858839
• Molecular Formula: C22H22N2O2S
• Molecular Weight: 378.50 g/mol
• Exact Mass: 378.14
• IUPAC Name: 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• SMILES: CC1CCc2c(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)csc2C1
• InChI: InChI=1S/C22H22N2O2S/c1-15-5-10-18-19(14-27-20(18)12-15)22(26)23-17-8-6-16(7-9-17)13-24-11-3-2-4-21(24)25/h2-4,6-9,11,14-15H,5,10,12-13H2,1H3,(H,23,26)
• InChIKey: CFKCLALURPLFDP-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.50
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The IUPAC name of 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 55858839) is 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

What is the SMILES notation for 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The canonical SMILES for 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC1CCc2c(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)csc2C1.

What is the InChIKey of 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The InChIKey is CFKCLALURPLFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-15-5-10-18-19(14-27-20(18)12-15)22(26)23-17-8-6-16(7-9-17)13-24-11-3-2-4-21(24)25/h2-4,6-9,11,14-15H,5,10,12-13H2,1H3,(H,23,26).

What are the key properties of 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 55858839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).