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

C19H19N3O4S — CID 3920482

IUPACN-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1cccc(-c2nnc(SCCC(=O)Nc3ccccc3OC)o2)c1
InChIInChI=1S/C19H19N3O4S/c1-24-14-7-5-6-13(12-14)18-21-22-19(26-18)27-11-10-17(23)20-15-8-3-4-9-16(15)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyPWQCGQJFMGYILV-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.87
Rot. Bonds8

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

N-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 3920482) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID3920482
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1cccc(-c2nnc(SCCC(=O)Nc3ccccc3OC)o2)c1
InChIInChI=1S/C19H19N3O4S/c1-24-14-7-5-6-13(12-14)18-21-22-19(26-18)27-11-10-17(23)20-15-8-3-4-9-16(15)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyPWQCGQJFMGYILV-UHFFFAOYSA-N
XLogP3.87
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1117444
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3873196
N-(2,4-dimethoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2707033
N-(2-chlorophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4017251
N-(4-methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 60529197
N-(2,5-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5109261
N-(2,4-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4023777
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 861528
N-(2,6-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3904929
N-(2-methoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356012
2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenoxyphenyl)acetamide
CID 17437085
2-methoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652841

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 3920482) is N-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is COc1cccc(-c2nnc(SCCC(=O)Nc3ccccc3OC)o2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is PWQCGQJFMGYILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-24-14-7-5-6-13(12-14)18-21-22-19(26-18)27-11-10-17(23)20-15-8-3-4-9-16(15)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 385.45 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 3920482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).