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

C12H13N3O3S — CID 646270

IUPACN-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(C)o1
InChIInChI=1S/C12H13N3O3S/c1-8-14-15-12(18-8)19-7-11(16)13-9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyBPTXXUCETQAOKB-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.12
Rot. Bonds5

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

N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 646270) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID646270
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(C)o1
InChIInChI=1S/C12H13N3O3S/c1-8-14-15-12(18-8)19-7-11(16)13-9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyBPTXXUCETQAOKB-UHFFFAOYSA-N
XLogP2.12
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 6172966
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
CID 224935
N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845562
N-(2-Methoxy-phenyl)-2-{5-[(4-methoxy-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 1170150
CID 2452101
CID 2452101
N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763323
N-(2-methoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532444
N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 6463398
N-(2-methoxyphenyl)-2-((3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)thio)acetamide
CID 7197232
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 711690
2-(5-Cyclohexyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 654279
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]-N-(2-methoxyphenyl)acetamide
CID 1114736

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 646270) is N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccccc1NC(=O)CSc1nnc(C)o1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is BPTXXUCETQAOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-14-15-12(18-8)19-7-11(16)13-9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 279.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 646270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).