N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide

C20H21N3O4S — CID 17437375

IUPACN-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide
SMILESCC(=O)NCCCc1ccc(C(=O)CSc2nnc(-c3ccoc3C)o2)cc1
InChIInChI=1S/C20H21N3O4S/c1-13-17(9-11-26-13)19-22-23-20(27-19)28-12-18(25)16-7-5-15(6-8-16)4-3-10-21-14(2)24/h5-9,11H,3-4,10,12H2,1-2H3,(H,21,24)
InChIKeyRWOBGKKTBUHZCV-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.68
Rot. Bonds9

About N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide

N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide (PubChem CID 17437375) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide
PubChem CID17437375
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide
SMILESCC(=O)NCCCc1ccc(C(=O)CSc2nnc(-c3ccoc3C)o2)cc1
InChIInChI=1S/C20H21N3O4S/c1-13-17(9-11-26-13)19-22-23-20(27-19)28-12-18(25)16-7-5-15(6-8-16)4-3-10-21-14(2)24/h5-9,11H,3-4,10,12H2,1-2H3,(H,21,24)
InChIKeyRWOBGKKTBUHZCV-UHFFFAOYSA-N
XLogP3.68
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide with MolForge

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Related Compounds

2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 6473393
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16599963
1-(2,5-dimethylthiophen-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 8944991
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 3386629
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 42894215
N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9404935
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 17467291
tert-butyl 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 78763965
N-[2-(2-fluorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9405078
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9404917
N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9404979
2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide
CID 8522061

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide?
The IUPAC name of N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide (CID 17437375) is N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide.
What is the SMILES notation for N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide?
The canonical SMILES for N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide is CC(=O)NCCCc1ccc(C(=O)CSc2nnc(-c3ccoc3C)o2)cc1.
What is the InChIKey of N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide?
The InChIKey is RWOBGKKTBUHZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-17(9-11-26-13)19-22-23-20(27-19)28-12-18(25)16-7-5-15(6-8-16)4-3-10-21-14(2)24/h5-9,11H,3-4,10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide?
N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide has a molecular weight of 399.47 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propyl]acetamide is sourced from PubChem (CID 17437375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).