2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide

C27H32N2O6S — CID 30202889

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 30202889) has the molecular formula C27H32N2O6S and a molecular weight of 512.63 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
• PubChem CID: 30202889
• Molecular Formula: C27H32N2O6S
• Molecular Weight: 512.63 g/mol
• Exact Mass: 512.20
• IUPAC Name: 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
• SMILES: CCOc1ccccc1N(CC(=O)NCc1ccc(OC(C)C)c(OC)c1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C27H32N2O6S/c1-5-34-24-14-10-9-13-23(24)29(36(31,32)22-11-7-6-8-12-22)19-27(30)28-18-21-15-16-25(35-20(2)3)26(17-21)33-4/h6-17,20H,5,18-19H2,1-4H3,(H,28,30)
• InChIKey: NJFVVVIOJWMNEE-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.63
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide (CID 30202889) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide is CCOc1ccccc1N(CC(=O)NCc1ccc(OC(C)C)c(OC)c1)S(=O)(=O)c1ccccc1.

What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?

The InChIKey is NJFVVVIOJWMNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6S/c1-5-34-24-14-10-9-13-23(24)29(36(31,32)22-11-7-6-8-12-22)19-27(30)28-18-21-15-16-25(35-20(2)3)26(17-21)33-4/h6-17,20H,5,18-19H2,1-4H3,(H,28,30).

What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 512.63 g/mol, XLogP of 4.39, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 30202889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).