2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide

C15H15N3O6S — CID 6051167

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C\c1ccco1
InChIInChI=1S/C15H15N3O6S/c19-15(18-16-9-11-2-1-5-22-11)10-17-25(20,21)12-3-4-13-14(8-12)24-7-6-23-13/h1-5,8-9,17H,6-7,10H2,(H,18,19)/b16-9-
InChIKeyDQSHKDXSZSRBBV-SXGWCWSVSA-N
MW365.37 g/mol
LogP0.48
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide (PubChem CID 6051167) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
PubChem CID6051167
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C\c1ccco1
InChIInChI=1S/C15H15N3O6S/c19-15(18-16-9-11-2-1-5-22-11)10-17-25(20,21)12-3-4-13-14(8-12)24-7-6-23-13/h1-5,8-9,17H,6-7,10H2,(H,18,19)/b16-9-
InChIKeyDQSHKDXSZSRBBV-SXGWCWSVSA-N
XLogP0.48
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 112991633
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-methoxyphenyl)acetamide
CID 112998596
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 112992292
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 112993203
2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide
CID 9237986
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide
CID 8616849
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 113053957
2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404211

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide (CID 6051167) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C\c1ccco1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is DQSHKDXSZSRBBV-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H15N3O6S/c19-15(18-16-9-11-2-1-5-22-11)10-17-25(20,21)12-3-4-13-14(8-12)24-7-6-23-13/h1-5,8-9,17H,6-7,10H2,(H,18,19)/b16-9-.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 365.37 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6051167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).