2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide

C27H32N2O7S — CID 30203960

About 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 30203960) has the molecular formula C27H32N2O7S and a molecular weight of 528.63 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
• PubChem CID: 30203960
• Molecular Formula: C27H32N2O7S
• Molecular Weight: 528.63 g/mol
• Exact Mass: 528.19
• IUPAC Name: 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
• SMILES: COc1ccc(OC)c(N(CC(=O)NCc2ccc(OC(C)C)c(OC)c2)S(=O)(=O)c2ccccc2)c1
• InChI: InChI=1S/C27H32N2O7S/c1-19(2)36-25-13-11-20(15-26(25)35-5)17-28-27(30)18-29(37(31,32)22-9-7-6-8-10-22)23-16-21(33-3)12-14-24(23)34-4/h6-16,19H,17-18H2,1-5H3,(H,28,30)
• InChIKey: PPLJLWOMAPTGRY-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 103.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.63
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide (CID 30203960) is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide is COc1ccc(OC)c(N(CC(=O)NCc2ccc(OC(C)C)c(OC)c2)S(=O)(=O)c2ccccc2)c1.

What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?

The InChIKey is PPLJLWOMAPTGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O7S/c1-19(2)36-25-13-11-20(15-26(25)35-5)17-28-27(30)18-29(37(31,32)22-9-7-6-8-10-22)23-16-21(33-3)12-14-24(23)34-4/h6-16,19H,17-18H2,1-5H3,(H,28,30).

What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 528.63 g/mol, XLogP of 4.01, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 30203960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).