N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide

C16H19NO4S2 — CID 55395187

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESCC(NC(=O)CSC1CCS(=O)(=O)C1)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO4S2/c1-11(15-8-12-4-2-3-5-14(12)21-15)17-16(18)9-22-13-6-7-23(19,20)10-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyYORKZNCMFIUBJB-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.53
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (PubChem CID 55395187) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
PubChem CID55395187
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESCC(NC(=O)CSC1CCS(=O)(=O)C1)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO4S2/c1-11(15-8-12-4-2-3-5-14(12)21-15)17-16(18)9-22-13-6-7-23(19,20)10-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyYORKZNCMFIUBJB-UHFFFAOYSA-N
XLogP2.53
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9369701
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 78812996
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]urea
CID 94021412
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[5-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41249424
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 119691713
N-[1-(1-benzofuran-2-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 51206826
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 64618561
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 42260896
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide
CID 18144877
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8510980

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (CID 55395187) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is CC(NC(=O)CSC1CCS(=O)(=O)C1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The InChIKey is YORKZNCMFIUBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-11(15-8-12-4-2-3-5-14(12)21-15)17-16(18)9-22-13-6-7-23(19,20)10-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide has a molecular weight of 353.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is sourced from PubChem (CID 55395187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).