N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide

C23H24ClN5O3S — CID 43052546

IUPACN-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide
SMILESCc1noc(CSc2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cc2)n1
InChIInChI=1S/C23H24ClN5O3S/c1-16-25-22(32-27-16)15-33-18-8-6-17(7-9-18)23(31)29-12-10-28(11-13-29)14-21(30)26-20-5-3-2-4-19(20)24/h2-9H,10-15H2,1H3,(H,26,30)
InChIKeyAKWXXNKVRAGMGO-UHFFFAOYSA-N
MW486.00 g/mol
LogP3.72
Rot. Bonds7

About N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide (PubChem CID 43052546) has the molecular formula C23H24ClN5O3S and a molecular weight of 486.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide
PubChem CID43052546
Molecular FormulaC23H24ClN5O3S
Molecular Weight486.00 g/mol
Exact Mass485.13
IUPAC NameN-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide
SMILESCc1noc(CSc2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cc2)n1
InChIInChI=1S/C23H24ClN5O3S/c1-16-25-22(32-27-16)15-33-18-8-6-17(7-9-18)23(31)29-12-10-28(11-13-29)14-21(30)26-20-5-3-2-4-19(20)24/h2-9H,10-15H2,1H3,(H,26,30)
InChIKeyAKWXXNKVRAGMGO-UHFFFAOYSA-N
XLogP3.72
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.00
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide (CID 43052546) is N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide is Cc1noc(CSc2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cc2)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide?
The InChIKey is AKWXXNKVRAGMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3S/c1-16-25-22(32-27-16)15-33-18-8-6-17(7-9-18)23(31)29-12-10-28(11-13-29)14-21(30)26-20-5-3-2-4-19(20)24/h2-9H,10-15H2,1H3,(H,26,30).
What are the key properties of N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide has a molecular weight of 486.00 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43052546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).