(2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

C18H17N3O2S — CID 94810682

IUPAC(2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C18H17N3O2S/c1-13(24-11-14-5-3-2-4-6-14)17(22)20-16-9-7-15(8-10-16)18-21-19-12-23-18/h2-10,12-13H,11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyAHTXSHWAGCIJPC-CYBMUJFWSA-N
MW339.42 g/mol
LogP4.00
Rot. Bonds6

About (2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

(2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 94810682) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID94810682
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C18H17N3O2S/c1-13(24-11-14-5-3-2-4-6-14)17(22)20-16-9-7-15(8-10-16)18-21-19-12-23-18/h2-10,12-13H,11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyAHTXSHWAGCIJPC-CYBMUJFWSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 94810682) is (2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nnco2)cc1.
What is the InChIKey of (2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is AHTXSHWAGCIJPC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-13(24-11-14-5-3-2-4-6-14)17(22)20-16-9-7-15(8-10-16)18-21-19-12-23-18/h2-10,12-13H,11H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
(2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 339.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 94810682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).