N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide

C25H32N2O2S — CID 45377195

About N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide

N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide (PubChem CID 45377195) has the molecular formula C25H32N2O2S and a molecular weight of 424.61 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
• PubChem CID: 45377195
• Molecular Formula: C25H32N2O2S
• Molecular Weight: 424.61 g/mol
• Exact Mass: 424.22
• IUPAC Name: N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
• SMILES: Cc1cccc(C2c3ccsc3CCN2C(=O)CCC(=O)NCC2CCCCC2)c1
• InChI: InChI=1S/C25H32N2O2S/c1-18-6-5-9-20(16-18)25-21-13-15-30-22(21)12-14-27(25)24(29)11-10-23(28)26-17-19-7-3-2-4-8-19/h5-6,9,13,15-16,19,25H,2-4,7-8,10-12,14,17H2,1H3,(H,26,28)
• InChIKey: PTRKJQFDMMYJRX-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.61
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?

The IUPAC name of N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide (CID 45377195) is N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide.

What is the SMILES notation for N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?

The canonical SMILES for N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide is Cc1cccc(C2c3ccsc3CCN2C(=O)CCC(=O)NCC2CCCCC2)c1.

What is the InChIKey of N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?

The InChIKey is PTRKJQFDMMYJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2S/c1-18-6-5-9-20(16-18)25-21-13-15-30-22(21)12-14-27(25)24(29)11-10-23(28)26-17-19-7-3-2-4-8-19/h5-6,9,13,15-16,19,25H,2-4,7-8,10-12,14,17H2,1H3,(H,26,28).

What are the key properties of N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?

N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide has a molecular weight of 424.61 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide is sourced from PubChem (CID 45377195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).