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

C19H19N3O3S — CID 1309665

IUPACN-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C19H19N3O3S/c1-12-4-7-14(8-5-12)18-21-22-19(25-18)26-11-17(23)20-15-10-13(2)6-9-16(15)24-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyCKCCZJREWCGALR-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.09
Rot. Bonds6

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

N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1309665) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1309665
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C19H19N3O3S/c1-12-4-7-14(8-5-12)18-21-22-19(25-18)26-11-17(23)20-15-10-13(2)6-9-16(15)24-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyCKCCZJREWCGALR-UHFFFAOYSA-N
XLogP4.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1309665) is N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is CKCCZJREWCGALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-4-7-14(8-5-12)18-21-22-19(25-18)26-11-17(23)20-15-10-13(2)6-9-16(15)24-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1309665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).