N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

C17H20FN3O5S — CID 155959302

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCCN(C(=O)Cn1c(Cc2ccc(F)cc2)noc1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H20FN3O5S/c1-2-20(14-7-8-27(24,25)11-14)16(22)10-21-15(19-26-17(21)23)9-12-3-5-13(18)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyCEXJOKGRDIBAEN-UHFFFAOYSA-N
MW397.43 g/mol
LogP0.60
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (PubChem CID 155959302) has the molecular formula C17H20FN3O5S and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
PubChem CID155959302
Molecular FormulaC17H20FN3O5S
Molecular Weight397.43 g/mol
Exact Mass397.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCCN(C(=O)Cn1c(Cc2ccc(F)cc2)noc1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H20FN3O5S/c1-2-20(14-7-8-27(24,25)11-14)16(22)10-21-15(19-26-17(21)23)9-12-3-5-13(18)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKeyCEXJOKGRDIBAEN-UHFFFAOYSA-N
XLogP0.60
TPSA102.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-fluorophenyl)butanamide
CID 110316535
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CID 4895072
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7633122
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110413204
2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 127777587
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CID 108866926
N-(1,1-dioxothiolan-3-yl)-N,4-diethyl-3-(4-fluorophenyl)hexanamide
CID 110355785
3-(N-acetyl-4-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 113126878
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 51114006
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 52532535
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (CID 155959302) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is CCN(C(=O)Cn1c(Cc2ccc(F)cc2)noc1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The InChIKey is CEXJOKGRDIBAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O5S/c1-2-20(14-7-8-27(24,25)11-14)16(22)10-21-15(19-26-17(21)23)9-12-3-5-13(18)6-4-12/h3-6,14H,2,7-11H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is sourced from PubChem (CID 155959302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).