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

C18H17N3O3S — CID 656273

IUPACN-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H17N3O3S/c1-12-7-9-13(10-8-12)17-20-21-18(24-17)25-11-16(22)19-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeySVPOBAZNHFTGDV-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.78
Rot. Bonds6

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

N-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 656273) 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)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID656273
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H17N3O3S/c1-12-7-9-13(10-8-12)17-20-21-18(24-17)25-11-16(22)19-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeySVPOBAZNHFTGDV-UHFFFAOYSA-N
XLogP3.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093462
2-((5-(3-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 1206453
2-methoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4912771
1-(6-Methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone
CID 1167735
N-(3-fluoro-2-methylphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 2295372
1-(4-Methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2905372
N-(4-methoxyphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 4033191
N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide (8c)
CID 122362928
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 646238
N-(4-{2-[5-(4-Ethanesulfonylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetyl}-2-methoxy-phenyl)-acetamide
CID 653071
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 779642

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 656273) is N-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is SVPOBAZNHFTGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12-7-9-13(10-8-12)17-20-21-18(24-17)25-11-16(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)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.78, 6 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)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 656273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).