1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide

C24H31ClN2O4S — CID 100730031

About 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide

1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 100730031) has the molecular formula C24H31ClN2O4S and a molecular weight of 479.04 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
• PubChem CID: 100730031
• Molecular Formula: C24H31ClN2O4S
• Molecular Weight: 479.04 g/mol
• Exact Mass: 478.17
• IUPAC Name: 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
• SMILES: CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccc(OC)c(C)c1
• InChI: InChI=1S/C24H31ClN2O4S/c1-4-22(20-8-9-23(31-3)17(2)14-20)26-24(28)19-10-12-27(13-11-19)32(29,30)16-18-6-5-7-21(25)15-18/h5-9,14-15,19,22H,4,10-13,16H2,1-3H3,(H,26,28)/t22-/m0/s1
• InChIKey: ZPCNDYLCNPBUFR-QFIPXVFZSA-N
• XLogP: 4.47
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.04
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?

The IUPAC name of 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide (CID 100730031) is 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide is CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccc(OC)c(C)c1.

What is the InChIKey of 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?

The InChIKey is ZPCNDYLCNPBUFR-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H31ClN2O4S/c1-4-22(20-8-9-23(31-3)17(2)14-20)26-24(28)19-10-12-27(13-11-19)32(29,30)16-18-6-5-7-21(25)15-18/h5-9,14-15,19,22H,4,10-13,16H2,1-3H3,(H,26,28)/t22-/m0/s1.

What are the key properties of 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?

1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 479.04 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 100730031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).