2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide

C28H43N3O6S2 — CID 91670271

About 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide

2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide (PubChem CID 91670271) has the molecular formula C28H43N3O6S2 and a molecular weight of 581.80 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
• PubChem CID: 91670271
• Molecular Formula: C28H43N3O6S2
• Molecular Weight: 581.80 g/mol
• Exact Mass: 581.26
• IUPAC Name: 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
• SMILES: CCOc1ccc(C(C)C)cc1S(=O)(=O)NCCN1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OCC)CC1
• InChI: InChI=1S/C28H43N3O6S2/c1-7-36-25-11-9-23(21(3)4)19-27(25)38(32,33)29-13-14-30-15-17-31(18-16-30)39(34,35)28-20-24(22(5)6)10-12-26(28)37-8-2/h9-12,19-22,29H,7-8,13-18H2,1-6H3
• InChIKey: QZJBUMKDXCKACA-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.80
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide?

The IUPAC name of 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide (CID 91670271) is 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide.

What is the SMILES notation for 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide?

The canonical SMILES for 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide is CCOc1ccc(C(C)C)cc1S(=O)(=O)NCCN1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OCC)CC1.

What is the InChIKey of 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide?

The InChIKey is QZJBUMKDXCKACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O6S2/c1-7-36-25-11-9-23(21(3)4)19-27(25)38(32,33)29-13-14-30-15-17-31(18-16-30)39(34,35)28-20-24(22(5)6)10-12-26(28)37-8-2/h9-12,19-22,29H,7-8,13-18H2,1-6H3.

What are the key properties of 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide?

2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide has a molecular weight of 581.80 g/mol, XLogP of 4.02, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 91670271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).