N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide

C18H14ClFN4O2S — CID 53153937

IUPACN-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(-c2nc(C3CC3)no2)cn1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H14ClFN4O2S/c19-13-7-12(20)4-5-14(13)22-15(25)9-27-16-6-3-11(8-21-16)18-23-17(24-26-18)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,25)
InChIKeyWLBIHASKZASRHH-UHFFFAOYSA-N
MW404.85 g/mol
LogP4.53
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide

N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 53153937) has the molecular formula C18H14ClFN4O2S and a molecular weight of 404.85 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID53153937
Molecular FormulaC18H14ClFN4O2S
Molecular Weight404.85 g/mol
Exact Mass404.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(-c2nc(C3CC3)no2)cn1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H14ClFN4O2S/c19-13-7-12(20)4-5-14(13)22-15(25)9-27-16-6-3-11(8-21-16)18-23-17(24-26-18)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,25)
InChIKeyWLBIHASKZASRHH-UHFFFAOYSA-N
XLogP4.53
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(2,4-dichlorophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153883
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 43301227
N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153843
N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153833
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53137270
2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one
CID 119099447
N-(2-chloro-4-fluorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 7810086
N-(5-chloro-2-methoxyphenyl)-2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetamide
CID 53137285
N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489777
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 95560076
2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 95098189
1-[2-chloro-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 75456057

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (CID 53153937) is N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(-c2nc(C3CC3)no2)cn1)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is WLBIHASKZASRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2S/c19-13-7-12(20)4-5-14(13)22-15(25)9-27-16-6-3-11(8-21-16)18-23-17(24-26-18)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,25).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 404.85 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 53153937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).