N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide

C18H15ClFN3O3S — CID 50759639

IUPACN-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2nc(-c3ccc(F)cc3)no2)cc1Cl
InChIInChI=1S/C18H15ClFN3O3S/c1-25-15-7-6-13(8-14(15)19)21-16(24)9-27-10-17-22-18(23-26-17)11-2-4-12(20)5-3-11/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyDUQBAETUDSYIFN-UHFFFAOYSA-N
MW407.85 g/mol
LogP4.41
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide (PubChem CID 50759639) has the molecular formula C18H15ClFN3O3S and a molecular weight of 407.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
PubChem CID50759639
Molecular FormulaC18H15ClFN3O3S
Molecular Weight407.85 g/mol
Exact Mass407.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2nc(-c3ccc(F)cc3)no2)cc1Cl
InChIInChI=1S/C18H15ClFN3O3S/c1-25-15-7-6-13(8-14(15)19)21-16(24)9-27-10-17-22-18(23-26-17)11-2-4-12(20)5-3-11/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyDUQBAETUDSYIFN-UHFFFAOYSA-N
XLogP4.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 20912672
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 20912675
N-(3-chloro-4-methoxyphenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151770
N-(3-chloro-4-methoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9083038
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 50759800
N-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46398943
N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
CID 46367648
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 972558
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenylacetamide
CID 50759748
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
N-(4-ethylphenyl)-2-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 50759789
N-(3-chloro-4-methylphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26688026

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide (CID 50759639) is N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide is COc1ccc(NC(=O)CSCc2nc(-c3ccc(F)cc3)no2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The InChIKey is DUQBAETUDSYIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S/c1-25-15-7-6-13(8-14(15)19)21-16(24)9-27-10-17-22-18(23-26-17)11-2-4-12(20)5-3-11/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide has a molecular weight of 407.85 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 50759639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).