N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C26H30FN5O2S — CID 3454246

IUPACN-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1ccccc1N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H30FN5O2S/c27-20-8-6-7-19(17-20)25-29-30-26(34-25)35-18-24(33)28-22-11-4-5-12-23(22)32-15-13-31(14-16-32)21-9-2-1-3-10-21/h4-8,11-12,17,21H,1-3,9-10,13-16,18H2,(H,28,33)
InChIKeyZZQXQTMAEVYBNY-UHFFFAOYSA-N
MW495.62 g/mol
LogP5.06
Rot. Bonds7

About N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3454246) has the molecular formula C26H30FN5O2S and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3454246
Molecular FormulaC26H30FN5O2S
Molecular Weight495.62 g/mol
Exact Mass495.21
IUPAC NameN-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1ccccc1N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H30FN5O2S/c27-20-8-6-7-19(17-20)25-29-30-26(34-25)35-18-24(33)28-22-11-4-5-12-23(22)32-15-13-31(14-16-32)21-9-2-1-3-10-21/h4-8,11-12,17,21H,1-3,9-10,13-16,18H2,(H,28,33)
InChIKeyZZQXQTMAEVYBNY-UHFFFAOYSA-N
XLogP5.06
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 4274050
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5097479
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4561144
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4044383
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 4222932
N-(2,5-dimethylphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3918936
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3440507
N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3970288
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 3250292
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
CID 3301651
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 4317308

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3454246) is N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1ccccc1N1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ZZQXQTMAEVYBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2S/c27-20-8-6-7-19(17-20)25-29-30-26(34-25)35-18-24(33)28-22-11-4-5-12-23(22)32-15-13-31(14-16-32)21-9-2-1-3-10-21/h4-8,11-12,17,21H,1-3,9-10,13-16,18H2,(H,28,33).
What are the key properties of N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 495.62 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3454246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).