2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide

C17H18N2O6S — CID 25334983

IUPAC2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide
SMILESNC(=O)COc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1
InChIInChI=1S/C17H18N2O6S/c18-17(20)11-25-13-4-2-12(3-5-13)19-26(21,22)14-6-7-15-16(10-14)24-9-1-8-23-15/h2-7,10,19H,1,8-9,11H2,(H2,18,20)
InChIKeyOGEKMCNTXWMHLK-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide

2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide (PubChem CID 25334983) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide
PubChem CID25334983
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide
SMILESNC(=O)COc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1
InChIInChI=1S/C17H18N2O6S/c18-17(20)11-25-13-4-2-12(3-5-13)19-26(21,22)14-6-7-15-16(10-14)24-9-1-8-23-15/h2-7,10,19H,1,8-9,11H2,(H2,18,20)
InChIKeyOGEKMCNTXWMHLK-UHFFFAOYSA-N
XLogP1.51
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776965
3-amino-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide
CID 119270065
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 55840894
N-(4-cyclopentyloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 35548290
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 5186215
benzyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate
CID 35451662
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 42153471
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(3-methylphenoxy)acetamide
CID 46520435
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]cyclopentanecarboxamide
CID 9330132
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
(3,3-dimethyl-2-oxobutyl) 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 2436752

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide?
The IUPAC name of 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide (CID 25334983) is 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide is NC(=O)COc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide?
The InChIKey is OGEKMCNTXWMHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c18-17(20)11-25-13-4-2-12(3-5-13)19-26(21,22)14-6-7-15-16(10-14)24-9-1-8-23-15/h2-7,10,19H,1,8-9,11H2,(H2,18,20).
What are the key properties of 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide?
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide has a molecular weight of 378.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide is sourced from PubChem (CID 25334983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).