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

C18H16ClN3O2S — CID 50759593

IUPACN-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1nc(-c2ccccc2)no1)NCc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2S/c19-15-9-5-4-8-14(15)10-20-16(23)11-25-12-17-21-18(22-24-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,23)
InChIKeyIVFIJUSUMJWHGD-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.94
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide (PubChem CID 50759593) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
PubChem CID50759593
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1nc(-c2ccccc2)no1)NCc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2S/c19-15-9-5-4-8-14(15)10-20-16(23)11-25-12-17-21-18(22-24-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,23)
InChIKeyIVFIJUSUMJWHGD-UHFFFAOYSA-N
XLogP3.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]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-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875190
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenylacetamide
CID 50759748
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-propylacetamide
CID 50759756
N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 42951167
N-[(2-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30329305
N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157403
N-benzyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 55571061
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 3354065
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50874751
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
CID 112683746
N-[(2-chlorophenyl)methyl]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 126154095

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide (CID 50759593) is N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide is O=C(CSCc1nc(-c2ccccc2)no1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The InChIKey is IVFIJUSUMJWHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-15-9-5-4-8-14(15)10-20-16(23)11-25-12-17-21-18(22-24-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide has a molecular weight of 373.87 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 50759593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).