6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C19H19F4N3O2S — CID 149437821

About 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 149437821) has the molecular formula C19H19F4N3O2S and a molecular weight of 429.44 g/mol. Its IUPAC name is 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 149437821
• Molecular Formula: C19H19F4N3O2S
• Molecular Weight: 429.44 g/mol
• Exact Mass: 429.11
• IUPAC Name: 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCN1CCc2c(sc(NC(=O)c3c(F)c(F)c(C)c(F)c3F)c2C(=O)NC)C1
• InChI: InChI=1S/C19H19F4N3O2S/c1-4-26-6-5-9-10(7-26)29-19(11(9)17(27)24-3)25-18(28)12-15(22)13(20)8(2)14(21)16(12)23/h4-7H2,1-3H3,(H,24,27)(H,25,28)
• InChIKey: YVDVCQOMDJXJMV-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.44
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 149437821) is 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN1CCc2c(sc(NC(=O)c3c(F)c(F)c(C)c(F)c3F)c2C(=O)NC)C1.

What is the InChIKey of 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is YVDVCQOMDJXJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O2S/c1-4-26-6-5-9-10(7-26)29-19(11(9)17(27)24-3)25-18(28)12-15(22)13(20)8(2)14(21)16(12)23/h4-7H2,1-3H3,(H,24,27)(H,25,28).

What are the key properties of 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-N-methyl-2-[(2,3,5,6-tetrafluoro-4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 149437821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).