N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C23H26ClN5O3S — CID 4665581

IUPACN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)CC1
InChIInChI=1S/C23H26ClN5O3S/c1-3-28-11-13-29(14-12-28)21-18(24)5-4-6-19(21)25-20(30)15-33-23-27-26-22(32-23)16-7-9-17(31-2)10-8-16/h4-10H,3,11-15H2,1-2H3,(H,25,30)
InChIKeyFGAGTISMWCRDRO-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.27
Rot. Bonds8

About N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 4665581) has the molecular formula C23H26ClN5O3S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID4665581
Molecular FormulaC23H26ClN5O3S
Molecular Weight488.01 g/mol
Exact Mass487.14
IUPAC NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)CC1
InChIInChI=1S/C23H26ClN5O3S/c1-3-28-11-13-29(14-12-28)21-18(24)5-4-6-19(21)25-20(30)15-33-23-27-26-22(32-23)16-7-9-17(31-2)10-8-16/h4-10H,3,11-15H2,1-2H3,(H,25,30)
InChIKeyFGAGTISMWCRDRO-UHFFFAOYSA-N
XLogP4.27
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 4233206
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3654794
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4215185
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3906746
N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4695392
N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3666320
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4044383
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 5030809
N-(2-chlorophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4017251
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 1307914
N-[4-[4-(2-chlorobenzoyl)piperazin-1-yl]phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4985243
N-(2,3-dichlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7817054

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 4665581) is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCN1CCN(c2c(Cl)cccc2NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)CC1.
What is the InChIKey of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is FGAGTISMWCRDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3S/c1-3-28-11-13-29(14-12-28)21-18(24)5-4-6-19(21)25-20(30)15-33-23-27-26-22(32-23)16-7-9-17(31-2)10-8-16/h4-10H,3,11-15H2,1-2H3,(H,25,30).
What are the key properties of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 488.01 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4665581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).