2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide

C21H26N2O6S — CID 2897218

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O6S/c1-27-16-10-11-20(28-2)19(13-16)23(30(25,26)18-8-4-3-5-9-18)15-21(24)22-14-17-7-6-12-29-17/h3-5,8-11,13,17H,6-7,12,14-15H2,1-2H3,(H,22,24)
InChIKeyANZAEVCJXRLMIU-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.19
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2897218) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2897218
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O6S/c1-27-16-10-11-20(28-2)19(13-16)23(30(25,26)18-8-4-3-5-9-18)15-21(24)22-14-17-7-6-12-29-17/h3-5,8-11,13,17H,6-7,12,14-15H2,1-2H3,(H,22,24)
InChIKeyANZAEVCJXRLMIU-UHFFFAOYSA-N
XLogP2.19
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.19
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-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide (CID 2897218) is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(OC)c(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ANZAEVCJXRLMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-16-10-11-20(28-2)19(13-16)23(30(25,26)18-8-4-3-5-9-18)15-21(24)22-14-17-7-6-12-29-17/h3-5,8-11,13,17H,6-7,12,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 434.51 g/mol, XLogP of 2.19, 9 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2897218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).