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

C13H13F2N3O2S — CID 42903005

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC(C)c2ccc(F)cc2F)o1
InChIInChI=1S/C13H13F2N3O2S/c1-7(10-4-3-9(14)5-11(10)15)16-12(19)6-21-13-18-17-8(2)20-13/h3-5,7H,6H2,1-2H3,(H,16,19)
InChIKeyAELNEMWJNLYYQJ-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.63
Rot. Bonds5

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

N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 42903005) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID42903005
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC(C)c2ccc(F)cc2F)o1
InChIInChI=1S/C13H13F2N3O2S/c1-7(10-4-3-9(14)5-11(10)15)16-12(19)6-21-13-18-17-8(2)20-13/h3-5,7H,6H2,1-2H3,(H,16,19)
InChIKeyAELNEMWJNLYYQJ-UHFFFAOYSA-N
XLogP2.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7794495
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 110693895
2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 94081336
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 51432520
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7277655
N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 42984842
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 9429409
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8787049
N-[1-(2,4-difluorophenyl)ethyl]-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112784157
N-[1-(2,4-difluorophenyl)ethyl]-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55319375
2-[2-[1-(2,4-difluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 51150351
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037856

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 42903005) is N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC(C)c2ccc(F)cc2F)o1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is AELNEMWJNLYYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-7(10-4-3-9(14)5-11(10)15)16-12(19)6-21-13-18-17-8(2)20-13/h3-5,7H,6H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 42903005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).