N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide

C21H23N3O3S — CID 55543102

IUPACN-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCN(C)C(=O)c2ccccc2SCc2noc(C)n2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-8-10-17(11-9-15)26-13-12-24(3)21(25)18-6-4-5-7-19(18)28-14-20-22-16(2)27-23-20/h4-11H,12-14H2,1-3H3
InChIKeySTDAXRQPDNPMPB-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.13
Rot. Bonds8

About N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide

N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide (PubChem CID 55543102) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
PubChem CID55543102
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCN(C)C(=O)c2ccccc2SCc2noc(C)n2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-8-10-17(11-9-15)26-13-12-24(3)21(25)18-6-4-5-7-19(18)28-14-20-22-16(2)27-23-20/h4-11H,12-14H2,1-3H3
InChIKeySTDAXRQPDNPMPB-UHFFFAOYSA-N
XLogP4.13
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 134049973
N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide
CID 36897572
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55504209
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 30776307
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39509186
1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
CID 36708662
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]-1,2-oxazole-5-carboxamide
CID 134049963
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide
CID 39702738
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)benzamide
CID 36943338
N-[(4-chlorophenyl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 36701837
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 42941720

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide?
The IUPAC name of N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide (CID 55543102) is N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide is Cc1ccc(OCCN(C)C(=O)c2ccccc2SCc2noc(C)n2)cc1.
What is the InChIKey of N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide?
The InChIKey is STDAXRQPDNPMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-8-10-17(11-9-15)26-13-12-24(3)21(25)18-6-4-5-7-19(18)28-14-20-22-16(2)27-23-20/h4-11H,12-14H2,1-3H3.
What are the key properties of N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide?
N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide has a molecular weight of 397.50 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 55543102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).