N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C17H16ClN3O3S — CID 9404935

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1occc1-c1nnc(SCC(=O)NCCc2cccc(Cl)c2)o1
InChIInChI=1S/C17H16ClN3O3S/c1-11-14(6-8-23-11)16-20-21-17(24-16)25-10-15(22)19-7-5-12-3-2-4-13(18)9-12/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,22)
InChIKeyBPWAYSIVNGNZIJ-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.74
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 9404935) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID9404935
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1occc1-c1nnc(SCC(=O)NCCc2cccc(Cl)c2)o1
InChIInChI=1S/C17H16ClN3O3S/c1-11-14(6-8-23-11)16-20-21-17(24-16)25-10-15(22)19-7-5-12-3-2-4-13(18)9-12/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,22)
InChIKeyBPWAYSIVNGNZIJ-UHFFFAOYSA-N
XLogP3.74
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
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-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 5030464
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-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8510228
N-[(3-chlorophenyl)methyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7826171
N-[2-(4-chlorophenyl)ethyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7443891
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 6473393
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 26569763
N-benzyl-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1139618

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 9404935) is N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1occc1-c1nnc(SCC(=O)NCCc2cccc(Cl)c2)o1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BPWAYSIVNGNZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-11-14(6-8-23-11)16-20-21-17(24-16)25-10-15(22)19-7-5-12-3-2-4-13(18)9-12/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 377.85 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 9404935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).