2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide

C27H34N2O6S — CID 3576114

About 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide

2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3576114) has the molecular formula C27H34N2O6S and a molecular weight of 514.64 g/mol. Its IUPAC name is 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 3576114
• Molecular Formula: C27H34N2O6S
• Molecular Weight: 514.64 g/mol
• Exact Mass: 514.21
• IUPAC Name: 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
• SMILES: COc1ccc(CCN(Cc2ccco2)C(=O)CN(C(C)(C)C)S(=O)(=O)c2ccccc2)cc1OC
• InChI: InChI=1S/C27H34N2O6S/c1-27(2,3)29(36(31,32)23-11-7-6-8-12-23)20-26(30)28(19-22-10-9-17-35-22)16-15-21-13-14-24(33-4)25(18-21)34-5/h6-14,17-18H,15-16,19-20H2,1-5H3
• InChIKey: XRIIQHKIPJMWAI-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 89.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.64
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide (CID 3576114) is 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide is COc1ccc(CCN(Cc2ccco2)C(=O)CN(C(C)(C)C)S(=O)(=O)c2ccccc2)cc1OC.

What is the InChIKey of 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?

The InChIKey is XRIIQHKIPJMWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6S/c1-27(2,3)29(36(31,32)23-11-7-6-8-12-23)20-26(30)28(19-22-10-9-17-35-22)16-15-21-13-14-24(33-4)25(18-21)34-5/h6-14,17-18H,15-16,19-20H2,1-5H3.

What are the key properties of 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide?

2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 514.64 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzenesulfonyl(tert-butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3576114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).