2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide

C13H16N2O7S2 — CID 110407099

IUPAC2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCO2)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H16N2O7S2/c16-13(15-9-3-4-23(17,18)7-9)6-14-24(19,20)10-1-2-11-12(5-10)22-8-21-11/h1-2,5,9,14H,3-4,6-8H2,(H,15,16)
InChIKeyVMEBZXZKHNUZBQ-UHFFFAOYSA-N
MW376.41 g/mol
LogP-1.00
Rot. Bonds5

About 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 110407099) has the molecular formula C13H16N2O7S2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID110407099
Molecular FormulaC13H16N2O7S2
Molecular Weight376.41 g/mol
Exact Mass376.04
IUPAC Name2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCO2)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H16N2O7S2/c16-13(15-9-3-4-23(17,18)7-9)6-14-24(19,20)10-1-2-11-12(5-10)22-8-21-11/h1-2,5,9,14H,3-4,6-8H2,(H,15,16)
InChIKeyVMEBZXZKHNUZBQ-UHFFFAOYSA-N
XLogP-1.00
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110600977
N-(1,1-dioxothiolan-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 110600998
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2999970
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
CID 7744996
N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 110407095
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
N-(1,1-dioxothiolan-3-yl)-1,3-benzodioxol-5-amine
CID 43179271
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 112991498
N-(1,1-dioxothiolan-3-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771301
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(4-tert-butylphenyl)acetamide
CID 112997615
N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110600989
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide
CID 112999713

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 110407099) is 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CNS(=O)(=O)c1ccc2c(c1)OCO2)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is VMEBZXZKHNUZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O7S2/c16-13(15-9-3-4-23(17,18)7-9)6-14-24(19,20)10-1-2-11-12(5-10)22-8-21-11/h1-2,5,9,14H,3-4,6-8H2,(H,15,16).
What are the key properties of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 376.41 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 110407099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).