N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide

C19H18ClN3O3S — CID 46367648

IUPACN-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2noc(-c3ccc(C)cc3)n2)cc1Cl
InChIInChI=1S/C19H18ClN3O3S/c1-12-3-5-13(6-4-12)19-22-17(23-26-19)10-27-11-18(24)21-14-7-8-16(25-2)15(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyWNHHHIZGUGZWSC-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.58
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide (PubChem CID 46367648) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
PubChem CID46367648
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2noc(-c3ccc(C)cc3)n2)cc1Cl
InChIInChI=1S/C19H18ClN3O3S/c1-12-3-5-13(6-4-12)19-22-17(23-26-19)10-27-11-18(24)21-14-7-8-16(25-2)15(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyWNHHHIZGUGZWSC-UHFFFAOYSA-N
XLogP4.58
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55732569
N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 20912672
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 60541127
N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 50759639
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 46367603
N-(3-chloro-4-methoxyphenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 46367722
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
N-(3-chloro-4-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3895754
N-benzyl-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
CID 46367622
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 46332044

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide (CID 46367648) is N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide is COc1ccc(NC(=O)CSCc2noc(-c3ccc(C)cc3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide?
The InChIKey is WNHHHIZGUGZWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-12-3-5-13(6-4-12)19-22-17(23-26-19)10-27-11-18(24)21-14-7-8-16(25-2)15(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide has a molecular weight of 403.89 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 46367648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).