4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide

C24H31N3O4S — CID 93197423

About 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide

4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide (PubChem CID 93197423) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
• PubChem CID: 93197423
• Molecular Formula: C24H31N3O4S
• Molecular Weight: 457.60 g/mol
• Exact Mass: 457.20
• IUPAC Name: 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
• SMILES: COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)c3cccs3)CC2)cc1
• InChI: InChI=1S/C24H31N3O4S/c1-16(2)15-25-23(29)21(26-22(28)18-6-8-19(31-3)9-7-18)17-10-12-27(13-11-17)24(30)20-5-4-14-32-20/h4-9,14,16-17,21H,10-13,15H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
• InChIKey: BBNGFHCADIRPOK-NRFANRHFSA-N
• XLogP: 3.18
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.60
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?

The IUPAC name of 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide (CID 93197423) is 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide.

What is the SMILES notation for 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?

The canonical SMILES for 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide is COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)c3cccs3)CC2)cc1.

What is the InChIKey of 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?

The InChIKey is BBNGFHCADIRPOK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-16(2)15-25-23(29)21(26-22(28)18-6-8-19(31-3)9-7-18)17-10-12-27(13-11-17)24(30)20-5-4-14-32-20/h4-9,14,16-17,21H,10-13,15H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1.

What are the key properties of 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?

4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide has a molecular weight of 457.60 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 93197423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).