N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C15H18ClN3O3S — CID 131922821

IUPACN-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N(C)CCOc2ccc(Cl)cc2C)o1
InChIInChI=1S/C15H18ClN3O3S/c1-10-8-12(16)4-5-13(10)21-7-6-19(3)14(20)9-23-15-18-17-11(2)22-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyZBOZRWVDJBLRPT-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.97
Rot. Bonds7

About N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 131922821) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID131922821
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N(C)CCOc2ccc(Cl)cc2C)o1
InChIInChI=1S/C15H18ClN3O3S/c1-10-8-12(16)4-5-13(10)21-7-6-19(3)14(20)9-23-15-18-17-11(2)22-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyZBOZRWVDJBLRPT-UHFFFAOYSA-N
XLogP2.97
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide
CID 92645254
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8582278
1-(4-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 3874267
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 11903614
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78768448
N-(3-chloro-4-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3895754
2-[[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 92645246
5-(aminomethyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154917611
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4027628
N-[2-(3-chlorophenoxy)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 55439817
1-(4-chloro-2-methylphenoxy)-4-methylpentan-3-one
CID 92931875
N-[(4-chlorophenyl)methyl]-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7683188

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 131922821) is N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)N(C)CCOc2ccc(Cl)cc2C)o1.
What is the InChIKey of N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZBOZRWVDJBLRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-10-8-12(16)4-5-13(10)21-7-6-19(3)14(20)9-23-15-18-17-11(2)22-15/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 355.85 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 131922821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).