N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide

C14H14N2O5S2 — CID 3245300

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H14N2O5S2/c17-13(9-15-23(18,19)14-2-1-7-22-14)16-10-3-4-11-12(8-10)21-6-5-20-11/h1-4,7-8,15H,5-6,9H2,(H,16,17)
InChIKeyCBBVDLBNLYYYTR-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.44
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 3245300) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID3245300
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H14N2O5S2/c17-13(9-15-23(18,19)14-2-1-7-22-14)16-10-3-4-11-12(8-10)21-6-5-20-11/h1-4,7-8,15H,5-6,9H2,(H,16,17)
InChIKeyCBBVDLBNLYYYTR-UHFFFAOYSA-N
XLogP1.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenesulfonamide
CID 713129
N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)thiophene-2-carboxamide
CID 2810390
N-2,3-dihydro-1,4-benzodioxin-6-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3245817
N-(3,4-Dimethoxyphenyl)-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4094700
N-(3,4-dimethoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 15989583
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(3,4-dimethoxyphenyl)sulfonyl]amino}acetamide
CID 1750391
N~2~-(3,4-dimethoxyphenyl)-N-[2-(phenylsulfanyl)ethyl]-N~2~-(phenylsulfonyl)glycinamide
CID 2213888
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2440523
N-[2-(cyclohexylsulfanyl)ethyl]-N~2~-(3,4-dimethoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2928661
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-ethyl-N~2~-(phenylsulfonyl)glycinamide
CID 2991615
2-Benzenesulfonylamino-N-(tert-butylcarbamoyl-methyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
CID 3206879
Thiophene-2-carboxylic acid {[(tert-butylcarbamoyl-methyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-carbamoyl]-methyl}-amide
CID 3215627

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide (CID 3245300) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide is O=C(CNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is CBBVDLBNLYYYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c17-13(9-15-23(18,19)14-2-1-7-22-14)16-10-3-4-11-12(8-10)21-6-5-20-11/h1-4,7-8,15H,5-6,9H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 3245300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).