N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C21H17FN4O2S — CID 168866590

IUPACN-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc3ncccc3c2)o1)NCCc1cccc(F)c1
InChIInChI=1S/C21H17FN4O2S/c22-17-5-1-3-14(11-17)8-10-24-19(27)13-29-21-26-25-20(28-21)16-6-7-18-15(12-16)4-2-9-23-18/h1-7,9,11-12H,8,10,13H2,(H,24,27)
InChIKeySSPDLOMUBNQTLS-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.87
Rot. Bonds7

About N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 168866590) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID168866590
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc3ncccc3c2)o1)NCCc1cccc(F)c1
InChIInChI=1S/C21H17FN4O2S/c22-17-5-1-3-14(11-17)8-10-24-19(27)13-29-21-26-25-20(28-21)16-6-7-18-15(12-16)4-2-9-23-18/h1-7,9,11-12H,8,10,13H2,(H,24,27)
InChIKeySSPDLOMUBNQTLS-UHFFFAOYSA-N
XLogP3.87
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 168866590) is N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccc3ncccc3c2)o1)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SSPDLOMUBNQTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c22-17-5-1-3-14(11-17)8-10-24-19(27)13-29-21-26-25-20(28-21)16-6-7-18-15(12-16)4-2-9-23-18/h1-7,9,11-12H,8,10,13H2,(H,24,27).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 408.46 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 168866590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).