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

C21H17N3O3S — CID 2200770

IUPACN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14-7-9-17(10-8-14)28-13-19(25)22-16-5-2-4-15(12-16)20-23-24-21(27-20)18-6-3-11-26-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyQKMXEWQYLCMSPT-UHFFFAOYSA-N
MW391.45 g/mol
LogP5.04
Rot. Bonds6

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

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 2200770) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID2200770
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14-7-9-17(10-8-14)28-13-19(25)22-16-5-2-4-15(12-16)20-23-24-21(27-20)18-6-3-11-26-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyQKMXEWQYLCMSPT-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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Related Compounds

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide
CID 17360862
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 18171324
ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide
CID 142440037
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide
CID 2231793
methyl 3-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 1160631
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17018603
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 692406
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 17359051
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate
CID 146494289

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide (CID 2200770) is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1.
What is the InChIKey of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is QKMXEWQYLCMSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-14-7-9-17(10-8-14)28-13-19(25)22-16-5-2-4-15(12-16)20-23-24-21(27-20)18-6-3-11-26-18/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[3-[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-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 2200770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).