2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide

C19H18ClN3O3S — CID 50874883

IUPAC2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
SMILESCOc1cccc(-c2noc(CN(C)C(=O)CSc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C19H18ClN3O3S/c1-23(18(24)12-27-16-8-6-14(20)7-9-16)11-17-21-19(22-26-17)13-4-3-5-15(10-13)25-2/h3-10H,11-12H2,1-2H3
InChIKeyQSXDQYNRMQUCAD-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.15
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide

2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide (PubChem CID 50874883) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
PubChem CID50874883
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
SMILESCOc1cccc(-c2noc(CN(C)C(=O)CSc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C19H18ClN3O3S/c1-23(18(24)12-27-16-8-6-14(20)7-9-16)11-17-21-19(22-26-17)13-4-3-5-15(10-13)25-2/h3-10H,11-12H2,1-2H3
InChIKeyQSXDQYNRMQUCAD-UHFFFAOYSA-N
XLogP4.15
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 99999152
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 8894540
3-chloro-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 50874619
3-(2,6-dichlorophenyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 100604591
N-methyl-2-(4-methylphenyl)sulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50874866
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 100634154
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenylsulfanylacetamide
CID 99998967
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8550796
2-(4-methoxy-3-methylphenyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 100574219
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 99999133
(2S)-2-(2-chlorophenoxy)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 97267417
2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 112781383

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide (CID 50874883) is 2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide is COc1cccc(-c2noc(CN(C)C(=O)CSc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
The InChIKey is QSXDQYNRMQUCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-23(18(24)12-27-16-8-6-14(20)7-9-16)11-17-21-19(22-26-17)13-4-3-5-15(10-13)25-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide?
2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide has a molecular weight of 403.89 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 50874883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).