2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide

C11H16N2O4S — CID 108996316

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC1CCS(=O)(=O)C1)NCc1ccco1
InChIInChI=1S/C11H16N2O4S/c14-11(13-6-10-2-1-4-17-10)7-12-9-3-5-18(15,16)8-9/h1-2,4,9,12H,3,5-8H2,(H,13,14)
InChIKeyGZMREDWGQLZWLJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.33
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide

2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 108996316) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID108996316
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC1CCS(=O)(=O)C1)NCc1ccco1
InChIInChI=1S/C11H16N2O4S/c14-11(13-6-10-2-1-4-17-10)7-12-9-3-5-18(15,16)8-9/h1-2,4,9,12H,3,5-8H2,(H,13,14)
InChIKeyGZMREDWGQLZWLJ-UHFFFAOYSA-N
XLogP-0.33
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
2-[(1,1-dioxothiolan-3-yl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 108997638
6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097102
4-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106465
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
4-N-(1,1-dioxothiolan-3-yl)-1-N-(furan-2-ylmethyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109046549
4-N-(1,1-dioxothiolan-3-yl)-1-N-(furan-2-ylmethyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109147772
2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 126854788
N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 51981184
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 51662403
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326945

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide (CID 108996316) is 2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide is O=C(CNC1CCS(=O)(=O)C1)NCc1ccco1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is GZMREDWGQLZWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c14-11(13-6-10-2-1-4-17-10)7-12-9-3-5-18(15,16)8-9/h1-2,4,9,12H,3,5-8H2,(H,13,14).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide?
2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 272.33 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 108996316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).