2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

C14H17NO4S — CID 110774382

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCO2)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H17NO4S/c16-14(15-12-4-6-20(17,18)9-12)8-10-1-2-13-11(7-10)3-5-19-13/h1-2,7,12H,3-6,8-9H2,(H,15,16)
InChIKeyDLEXHCASVKDKHL-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.47
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 110774382) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID110774382
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCO2)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H17NO4S/c16-14(15-12-4-6-20(17,18)9-12)8-10-1-2-13-11(7-10)3-5-19-13/h1-2,7,12H,3-6,8-9H2,(H,15,16)
InChIKeyDLEXHCASVKDKHL-UHFFFAOYSA-N
XLogP0.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
7-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-N-ethyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 91921113
2-(1,3-benzoxazol-6-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110771780
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773979
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 3992284
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2999970
N-(1,1-dioxothiolan-3-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771301
2-(3,4-dichlorophenyl)-N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-ethylacetamide
CID 9094565

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 110774382) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(Cc1ccc2c(c1)CCO2)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is DLEXHCASVKDKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c16-14(15-12-4-6-20(17,18)9-12)8-10-1-2-13-11(7-10)3-5-19-13/h1-2,7,12H,3-6,8-9H2,(H,15,16).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 295.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 110774382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).