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

C22H17N3O4S — CID 1147332

IUPACN-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)o2)cc1
InChIInChI=1S/C22H17N3O4S/c1-13(26)14-6-8-17(9-7-14)23-20(28)12-30-22-25-24-21(29-22)18-10-15-4-2-3-5-16(15)11-19(18)27/h2-11,27H,12H2,1H3,(H,23,28)
InChIKeyZIJXBFKKJZFZAH-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.53
Rot. Bonds6

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

N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1147332) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1147332
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC NameN-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)o2)cc1
InChIInChI=1S/C22H17N3O4S/c1-13(26)14-6-8-17(9-7-14)23-20(28)12-30-22-25-24-21(29-22)18-10-15-4-2-3-5-16(15)11-19(18)27/h2-11,27H,12H2,1H3,(H,23,28)
InChIKeyZIJXBFKKJZFZAH-UHFFFAOYSA-N
XLogP4.53
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3133284
N-(4-acetylphenyl)-2-[[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 155810737
N-(4-methoxyphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1300503
2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 3386877
N-(4-acetylphenyl)-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3305415
N-naphthalen-2-yl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4273230
N-(3,5-dichlorophenyl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1114728
N-[4-[5-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 162679127
dimethyl 5-[[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 4990658
N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5243510
4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2413834
N-[4-(dimethylamino)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2964223

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1147332) is N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)o2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ZIJXBFKKJZFZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c1-13(26)14-6-8-17(9-7-14)23-20(28)12-30-22-25-24-21(29-22)18-10-15-4-2-3-5-16(15)11-19(18)27/h2-11,27H,12H2,1H3,(H,23,28).
What are the key properties of N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 419.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[[5-(3-hydroxynaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1147332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).