N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide

C18H19N3O3S — CID 2085560

IUPACN-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
SMILESCc1cccc(C)c1NC(=O)CCCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C18H19N3O3S/c1-12-6-3-7-13(2)16(12)19-15(22)9-5-11-25-18-21-20-17(24-18)14-8-4-10-23-14/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,19,22)
InChIKeySJQOWKACBRWZML-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.46
Rot. Bonds7

About N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide

N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide (PubChem CID 2085560) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
PubChem CID2085560
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
SMILESCc1cccc(C)c1NC(=O)CCCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C18H19N3O3S/c1-12-6-3-7-13(2)16(12)19-15(22)9-5-11-25-18-21-20-17(24-18)14-8-4-10-23-14/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,19,22)
InChIKeySJQOWKACBRWZML-UHFFFAOYSA-N
XLogP4.46
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 655667
3-[3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 71296628
N-(2,6-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3904929
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 1303799
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone
CID 676148
N-(2,6-dimethylphenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2701619
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371073
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 8663213
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 7808654
N-(2,6-dimethylphenyl)-2-[[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 7683227
methyl 3-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 1160631

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide (CID 2085560) is N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide is Cc1cccc(C)c1NC(=O)CCCSc1nnc(-c2ccco2)o1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
The InChIKey is SJQOWKACBRWZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-6-3-7-13(2)16(12)19-15(22)9-5-11-25-18-21-20-17(24-18)14-8-4-10-23-14/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide has a molecular weight of 357.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide is sourced from PubChem (CID 2085560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).