2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C20H22N2O5S — CID 9171843

IUPAC2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H22N2O5S/c23-20(22-16-6-5-14-3-1-4-15(14)11-16)13-21-28(24,25)17-7-8-18-19(12-17)27-10-2-9-26-18/h5-8,11-12,21H,1-4,9-10,13H2,(H,22,23)
InChIKeyJDHBPPGQPQJSQD-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.25
Rot. Bonds5

About 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 9171843) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID9171843
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H22N2O5S/c23-20(22-16-6-5-14-3-1-4-15(14)11-16)13-21-28(24,25)17-7-8-18-19(12-17)27-10-2-9-26-18/h5-8,11-12,21H,1-4,9-10,13H2,(H,22,23)
InChIKeyJDHBPPGQPQJSQD-UHFFFAOYSA-N
XLogP2.25
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 24637640
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9495362
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24637643
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 26943463
N-(4-acetylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112999633
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-2-methylbenzamide
CID 56527363
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide
CID 112999713
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 110407287
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(4-tert-butylphenyl)acetamide
CID 112997615

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 9171843) is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide is O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is JDHBPPGQPQJSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c23-20(22-16-6-5-14-3-1-4-15(14)11-16)13-21-28(24,25)17-7-8-18-19(12-17)27-10-2-9-26-18/h5-8,11-12,21H,1-4,9-10,13H2,(H,22,23).
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 402.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 9171843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).