4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

C27H38N2O5S — CID 133186544

About 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 133186544) has the molecular formula C27H38N2O5S and a molecular weight of 502.68 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
• PubChem CID: 133186544
• Molecular Formula: C27H38N2O5S
• Molecular Weight: 502.68 g/mol
• Exact Mass: 502.25
• IUPAC Name: 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)NC(C)c2cc(C(C)C)c(OC)cc2C)cc1C(=O)N1CCC(C)CC1
• InChI: InChI=1S/C27H38N2O5S/c1-17(2)22-16-23(19(4)14-26(22)34-7)20(5)28-35(31,32)21-8-9-25(33-6)24(15-21)27(30)29-12-10-18(3)11-13-29/h8-9,14-18,20,28H,10-13H2,1-7H3
• InChIKey: XDMPOEONJLKUTA-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.68
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?

The IUPAC name of 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 133186544) is 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

What is the SMILES notation for 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?

The canonical SMILES for 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2cc(C(C)C)c(OC)cc2C)cc1C(=O)N1CCC(C)CC1.

What is the InChIKey of 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?

The InChIKey is XDMPOEONJLKUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O5S/c1-17(2)22-16-23(19(4)14-26(22)34-7)20(5)28-35(31,32)21-8-9-25(33-6)24(15-21)27(30)29-12-10-18(3)11-13-29/h8-9,14-18,20,28H,10-13H2,1-7H3.

What are the key properties of 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?

4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 502.68 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 133186544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).