N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide

C18H12ClF2N3O3S — CID 18562132

IUPACN-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide
SMILESO=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClF2N3O3S/c19-11-6-4-10(5-7-11)14(25)9-28-18-24-23-15(27-18)8-22-17(26)16-12(20)2-1-3-13(16)21/h1-7H,8-9H2,(H,22,26)
InChIKeyBZLQEJVSJJQMHE-UHFFFAOYSA-N
MW423.83 g/mol
LogP3.91
Rot. Bonds7

About N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide

N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide (PubChem CID 18562132) has the molecular formula C18H12ClF2N3O3S and a molecular weight of 423.83 g/mol. Its IUPAC name is N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide
PubChem CID18562132
Molecular FormulaC18H12ClF2N3O3S
Molecular Weight423.83 g/mol
Exact Mass423.03
IUPAC NameN-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide
SMILESO=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClF2N3O3S/c19-11-6-4-10(5-7-11)14(25)9-28-18-24-23-15(27-18)8-22-17(26)16-12(20)2-1-3-13(16)21/h1-7H,8-9H2,(H,22,26)
InChIKeyBZLQEJVSJJQMHE-UHFFFAOYSA-N
XLogP3.91
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide with MolForge

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Related Compounds

N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 3245929
4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 7205279
N-[(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-difluorobenzamide
CID 7502437
2,6-difluoro-N-[[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502466
2,6-difluoro-N-[[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 18562124
2,6-difluoro-N-[[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502463
2,6-difluoro-N-[[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205306
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
CID 854782
(2S)-2-[[5-[[(2,6-difluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 7502491
N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 18562109
N-[[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide
CID 18562119
1-(4-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 3874267

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide (CID 18562132) is N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide is O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide?
The InChIKey is BZLQEJVSJJQMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O3S/c19-11-6-4-10(5-7-11)14(25)9-28-18-24-23-15(27-18)8-22-17(26)16-12(20)2-1-3-13(16)21/h1-7H,8-9H2,(H,22,26).
What are the key properties of N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide?
N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide has a molecular weight of 423.83 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 18562132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).