2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide

C27H36N4O5S — CID 43901463

About 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide

2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide (PubChem CID 43901463) has the molecular formula C27H36N4O5S and a molecular weight of 528.68 g/mol. Its IUPAC name is 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
• PubChem CID: 43901463
• Molecular Formula: C27H36N4O5S
• Molecular Weight: 528.68 g/mol
• Exact Mass: 528.24
• IUPAC Name: 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
• SMILES: CC(NC(=O)CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1
• InChI: InChI=1S/C27H36N4O5S/c1-21(22-6-10-24(11-7-22)29-14-4-3-5-15-29)28-26(32)20-31(37(2,34)35)25-12-8-23(9-13-25)27(33)30-16-18-36-19-17-30/h6-13,21H,3-5,14-20H2,1-2H3,(H,28,32)
• InChIKey: JIYVZDRHKBPQCB-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.68
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?

The IUPAC name of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide (CID 43901463) is 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?

The canonical SMILES for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide is CC(NC(=O)CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1.

What is the InChIKey of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?

The InChIKey is JIYVZDRHKBPQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O5S/c1-21(22-6-10-24(11-7-22)29-14-4-3-5-15-29)28-26(32)20-31(37(2,34)35)25-12-8-23(9-13-25)27(33)30-16-18-36-19-17-30/h6-13,21H,3-5,14-20H2,1-2H3,(H,28,32).

What are the key properties of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide?

2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide has a molecular weight of 528.68 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 43901463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).