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

C20H17ClN4O2S — CID 26710938

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H17ClN4O2S/c21-15-7-5-13(6-8-15)19-24-25-20(27-19)28-12-18(26)22-10-9-14-11-23-17-4-2-1-3-16(14)17/h1-8,11,23H,9-10,12H2,(H,22,26)
InChIKeyIVZDFIZXRTXZHX-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.32
Rot. Bonds7

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

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 26710938) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID26710938
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H17ClN4O2S/c21-15-7-5-13(6-8-15)19-24-25-20(27-19)28-12-18(26)22-10-9-14-11-23-17-4-2-1-3-16(14)17/h1-8,11,23H,9-10,12H2,(H,22,26)
InChIKeyIVZDFIZXRTXZHX-UHFFFAOYSA-N
XLogP4.32
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9345766
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7907035
N-(4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4814655
(2S)-2-[[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 51521150
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110334003
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N',N'-diphenylacetohydrazide
CID 3947725
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-phenylpropyl)acetamide
CID 2636954
N-butyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2636234
N-[2-(4-chlorophenyl)ethyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7443891
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135840776
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 27917055
(2R)-3-(1H-indol-3-yl)-2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanoic acid
CID 51519783

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 26710938) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is IVZDFIZXRTXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c21-15-7-5-13(6-8-15)19-24-25-20(27-19)28-12-18(26)22-10-9-14-11-23-17-4-2-1-3-16(14)17/h1-8,11,23H,9-10,12H2,(H,22,26).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 412.90 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 26710938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).