N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide

C15H19N3O5S2 — CID 8663270

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCN(C(=O)CSc1nnc(-c2ccco2)o1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O5S2/c1-2-6-18(11-5-8-25(20,21)10-11)13(19)9-24-15-17-16-14(23-15)12-4-3-7-22-12/h3-4,7,11H,2,5-6,8-10H2,1H3/t11-/m1/s1
InChIKeyACUJESQGQSKLCN-LLVKDONJSA-N
MW385.47 g/mol
LogP1.85
Rot. Bonds7

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide (PubChem CID 8663270) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
PubChem CID8663270
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCN(C(=O)CSc1nnc(-c2ccco2)o1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O5S2/c1-2-6-18(11-5-8-25(20,21)10-11)13(19)9-24-15-17-16-14(23-15)12-4-3-7-22-12/h3-4,7,11H,2,5-6,8-10H2,1H3/t11-/m1/s1
InChIKeyACUJESQGQSKLCN-LLVKDONJSA-N
XLogP1.85
TPSA106.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7683099
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
CID 7805582
N-[(3S)-1,1-dioxothiolan-3-yl]-N-propyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9291786
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7633122
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 9373854
N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenyl)sulfanyl-N-propylacetamide
CID 78789039
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
CID 7895560
2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 40804821
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536588
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
CID 7756953
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
CID 8787283
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide
CID 97339919

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide (CID 8663270) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide is CCCN(C(=O)CSc1nnc(-c2ccco2)o1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide?
The InChIKey is ACUJESQGQSKLCN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-2-6-18(11-5-8-25(20,21)10-11)13(19)9-24-15-17-16-14(23-15)12-4-3-7-22-12/h3-4,7,11H,2,5-6,8-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide has a molecular weight of 385.47 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide is sourced from PubChem (CID 8663270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).