N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide

C22H25FN2O2S — CID 4544921

About N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide

N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide (PubChem CID 4544921) has the molecular formula C22H25FN2O2S and a molecular weight of 400.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
• PubChem CID: 4544921
• Molecular Formula: C22H25FN2O2S
• Molecular Weight: 400.52 g/mol
• Exact Mass: 400.16
• IUPAC Name: N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)N(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C1CC1
• InChI: InChI=1S/C22H25FN2O2S/c1-14(2)22(27)25(17-7-8-17)13-20(26)24-11-9-19-18(10-12-28-19)21(24)15-3-5-16(23)6-4-15/h3-6,10,12,14,17,21H,7-9,11,13H2,1-2H3
• InChIKey: OIUTXDFMHTXRTJ-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.52
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?

The IUPAC name of N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide (CID 4544921) is N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?

The canonical SMILES for N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide is CC(C)C(=O)N(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C1CC1.

What is the InChIKey of N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?

The InChIKey is OIUTXDFMHTXRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2S/c1-14(2)22(27)25(17-7-8-17)13-20(26)24-11-9-19-18(10-12-28-19)21(24)15-3-5-16(23)6-4-15/h3-6,10,12,14,17,21H,7-9,11,13H2,1-2H3.

What are the key properties of N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?

N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 400.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 4544921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).