N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide

C21H17N3O3S — CID 1288829

IUPACN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14-4-10-17(11-5-14)28-13-19(25)22-16-8-6-15(7-9-16)20-23-24-21(27-20)18-3-2-12-26-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyNNGWAGLTYLYBLK-UHFFFAOYSA-N
MW391.45 g/mol
LogP5.04
Rot. Bonds6

About N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide

N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 1288829) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID1288829
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14-4-10-17(11-5-14)28-13-19(25)22-16-8-6-15(7-9-16)20-23-24-21(27-20)18-3-2-12-26-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyNNGWAGLTYLYBLK-UHFFFAOYSA-N
XLogP5.04
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide (CID 1288829) is N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1.
What is the InChIKey of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is NNGWAGLTYLYBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-14-4-10-17(11-5-14)28-13-19(25)22-16-8-6-15(7-9-16)20-23-24-21(27-20)18-3-2-12-26-18/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 391.45 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 1288829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).