N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide

C23H27N5O2S — CID 22109148

IUPACN-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cn2nc(Cc3ccccc3)oc2=S)CC1)NCc1ccccc1
InChIInChI=1S/C23H27N5O2S/c29-21(24-16-20-9-5-2-6-10-20)17-26-11-13-27(14-12-26)18-28-23(31)30-22(25-28)15-19-7-3-1-4-8-19/h1-10H,11-18H2,(H,24,29)
InChIKeyHOUAMWHAMVERAC-UHFFFAOYSA-N
MW437.57 g/mol
LogP2.69
Rot. Bonds8

About N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 22109148) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide
PubChem CID22109148
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cn2nc(Cc3ccccc3)oc2=S)CC1)NCc1ccccc1
InChIInChI=1S/C23H27N5O2S/c29-21(24-16-20-9-5-2-6-10-20)17-26-11-13-27(14-12-26)18-28-23(31)30-22(25-28)15-19-7-3-1-4-8-19/h1-10H,11-18H2,(H,24,29)
InChIKeyHOUAMWHAMVERAC-UHFFFAOYSA-N
XLogP2.69
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide (CID 22109148) is N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cn2nc(Cc3ccccc3)oc2=S)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is HOUAMWHAMVERAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c29-21(24-16-20-9-5-2-6-10-20)17-26-11-13-27(14-12-26)18-28-23(31)30-22(25-28)15-19-7-3-1-4-8-19/h1-10H,11-18H2,(H,24,29).
What are the key properties of N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(5-benzyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 22109148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).