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

C18H17N3O3S — CID 126171318

IUPACN-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)oc1=S
InChIInChI=1S/C18H17N3O3S/c1-12-7-9-13(10-8-12)17-20-21(18(25)24-17)11-16(22)19-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRJVGPPYTHWTCRZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.83
Rot. Bonds5

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

N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide (PubChem CID 126171318) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide
PubChem CID126171318
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)oc1=S
InChIInChI=1S/C18H17N3O3S/c1-12-7-9-13(10-8-12)17-20-21(18(25)24-17)11-16(22)19-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRJVGPPYTHWTCRZ-UHFFFAOYSA-N
XLogP3.83
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetyl]amino]benzoate
CID 126181085
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CID 50812901
N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 50752351
5-(2-methoxyphenyl)-3-[(4-methylanilino)methyl]-1,3,4-oxadiazole-2-thione
CID 3570730
N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419704
N-(5-chloro-2-methoxyphenyl)-2-[5-[(2-methylphenoxy)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide
CID 126166583
2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 43647204
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 103218386
N-(2-methoxyphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393943
N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867735
2-[1-[2-(2-methoxyanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617921
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3224491

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide (CID 126171318) is N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide is COc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)oc1=S.
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide?
The InChIKey is RJVGPPYTHWTCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12-7-9-13(10-8-12)17-20-21(18(25)24-17)11-16(22)19-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide?
N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.83, 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-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 126171318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).