N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C19H17F2N3O2S — CID 78839592

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17F2N3O2S/c1-12(14-8-9-15(20)16(21)10-14)24(2)17(25)11-27-19-23-22-18(26-19)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyPQMJFGOCGZOXPC-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.33
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 78839592) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID78839592
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17F2N3O2S/c1-12(14-8-9-15(20)16(21)10-14)24(2)17(25)11-27-19-23-22-18(26-19)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyPQMJFGOCGZOXPC-UHFFFAOYSA-N
XLogP4.33
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 55594959
2-[[5-[3-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 43026018
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24571115
N-[1-(3,4-difluorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 46513010
N-[1-(2,4-dichlorophenyl)ethyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 55581358
N-benzyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2696272
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 31163413
N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55509696
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-hexan-3-yl-N-methylacetamide
CID 144523408
N-ethyl-N-(2-methylprop-2-enyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761564
2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 4823126
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7444334

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 78839592) is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)CSc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is PQMJFGOCGZOXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-12(14-8-9-15(20)16(21)10-14)24(2)17(25)11-27-19-23-22-18(26-19)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 389.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 78839592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).