N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide

C24H19FN2O2S2 — CID 30751017

About N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 30751017) has the molecular formula C24H19FN2O2S2 and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
• PubChem CID: 30751017
• Molecular Formula: C24H19FN2O2S2
• Molecular Weight: 450.56 g/mol
• Exact Mass: 450.09
• IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
• SMILES: Cc1c(NC(=O)c2cc3c(F)cccc3s2)cccc1C(=O)N1CCc2sccc2C1
• InChI: InChI=1S/C24H19FN2O2S2/c1-14-16(24(29)27-10-8-20-15(13-27)9-11-30-20)4-2-6-19(14)26-23(28)22-12-17-18(25)5-3-7-21(17)31-22/h2-7,9,11-12H,8,10,13H2,1H3,(H,26,28)
• InChIKey: NWBMBRULMGIHKY-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.56
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?

The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide (CID 30751017) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide.

What is the SMILES notation for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?

The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide is Cc1c(NC(=O)c2cc3c(F)cccc3s2)cccc1C(=O)N1CCc2sccc2C1.

What is the InChIKey of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?

The InChIKey is NWBMBRULMGIHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2S2/c1-14-16(24(29)27-10-8-20-15(13-27)9-11-30-20)4-2-6-19(14)26-23(28)22-12-17-18(25)5-3-7-21(17)31-22/h2-7,9,11-12H,8,10,13H2,1H3,(H,26,28).

What are the key properties of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 30751017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).