N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide

C23H25N3O3S — CID 7562568

IUPACN-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide
SMILESCc1cc(C)cc(-c2nnc(SCC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)o2)c1
InChIInChI=1S/C23H25N3O3S/c1-14-10-15(2)12-17(11-14)20-25-26-22(29-20)30-13-19(27)16-6-8-18(9-7-16)24-21(28)23(3,4)5/h6-12H,13H2,1-5H3,(H,24,28)
InChIKeyAVYVZUWURFLHHR-UHFFFAOYSA-N
MW423.54 g/mol
LogP5.31
Rot. Bonds6

About N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide

N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 7562568) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide
PubChem CID7562568
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide
SMILESCc1cc(C)cc(-c2nnc(SCC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)o2)c1
InChIInChI=1S/C23H25N3O3S/c1-14-10-15(2)12-17(11-14)20-25-26-22(29-20)30-13-19(27)16-6-8-18(9-7-16)24-21(28)23(3,4)5/h6-12H,13H2,1-5H3,(H,24,28)
InChIKeyAVYVZUWURFLHHR-UHFFFAOYSA-N
XLogP5.31
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 33070510
N-[4-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]hexanamide
CID 7417360
1-(4-methylphenyl)-2-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 2767808
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone
CID 30133824
N-[4-(cyanomethyl)phenyl]-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8858650
1-(3-bromo-4-methoxyphenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 30134136
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 828968
methyl 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 859580
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 865831
2-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 25156620
N-(4-butylphenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562378
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562394

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide (CID 7562568) is N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide is Cc1cc(C)cc(-c2nnc(SCC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)o2)c1.
What is the InChIKey of N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is AVYVZUWURFLHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-14-10-15(2)12-17(11-14)20-25-26-22(29-20)30-13-19(27)16-6-8-18(9-7-16)24-21(28)23(3,4)5/h6-12H,13H2,1-5H3,(H,24,28).
What are the key properties of N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide?
N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 423.54 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 7562568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).