2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C25H28N2O6S — CID 3144155

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O6S/c1-31-20-11-9-19(10-12-20)15-16-26-25(28)18-27(34(29,30)22-7-5-4-6-8-22)23-17-21(32-2)13-14-24(23)33-3/h4-14,17H,15-16,18H2,1-3H3,(H,26,28)
InChIKeyVAYRZDQLJYAOMU-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.27
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 3144155) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID3144155
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O6S/c1-31-20-11-9-19(10-12-20)15-16-26-25(28)18-27(34(29,30)22-7-5-4-6-8-22)23-17-21(32-2)13-14-24(23)33-3/h4-14,17H,15-16,18H2,1-3H3,(H,26,28)
InChIKeyVAYRZDQLJYAOMU-UHFFFAOYSA-N
XLogP3.27
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 3144155) is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is VAYRZDQLJYAOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-31-20-11-9-19(10-12-20)15-16-26-25(28)18-27(34(29,30)22-7-5-4-6-8-22)23-17-21(32-2)13-14-24(23)33-3/h4-14,17H,15-16,18H2,1-3H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 484.57 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 3144155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).