N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide

C24H21FN4O2S — CID 6539716

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide
SMILESO=C(Cc1ccc(CSc2nnc(-c3ccncc3)o2)cc1)NCCc1ccccc1F
InChIInChI=1S/C24H21FN4O2S/c25-21-4-2-1-3-19(21)11-14-27-22(30)15-17-5-7-18(8-6-17)16-32-24-29-28-23(31-24)20-9-12-26-13-10-20/h1-10,12-13H,11,14-16H2,(H,27,30)
InChIKeyUFADFTFWLLEWHZ-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.46
Rot. Bonds9

About N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide

N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide (PubChem CID 6539716) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide
PubChem CID6539716
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide
SMILESO=C(Cc1ccc(CSc2nnc(-c3ccncc3)o2)cc1)NCCc1ccccc1F
InChIInChI=1S/C24H21FN4O2S/c25-21-4-2-1-3-19(21)11-14-27-22(30)15-17-5-7-18(8-6-17)16-32-24-29-28-23(31-24)20-9-12-26-13-10-20/h1-10,12-13H,11,14-16H2,(H,27,30)
InChIKeyUFADFTFWLLEWHZ-UHFFFAOYSA-N
XLogP4.46
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide (CID 6539716) is N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide is O=C(Cc1ccc(CSc2nnc(-c3ccncc3)o2)cc1)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide?
The InChIKey is UFADFTFWLLEWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c25-21-4-2-1-3-19(21)11-14-27-22(30)15-17-5-7-18(8-6-17)16-32-24-29-28-23(31-24)20-9-12-26-13-10-20/h1-10,12-13H,11,14-16H2,(H,27,30).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetamide is sourced from PubChem (CID 6539716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).