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

C21H23N3O3S — CID 55764954

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(NC(=O)C(Sc2nnc(C(C)(C)C)o2)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-21(2,3)19-23-24-20(27-19)28-17(14-8-6-5-7-9-14)18(25)22-15-10-12-16(26-4)13-11-15/h5-13,17H,1-4H3,(H,22,25)
InChIKeyDYWWKNMOYYQZJB-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.85
Rot. Bonds6

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

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide (PubChem CID 55764954) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide
PubChem CID55764954
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(NC(=O)C(Sc2nnc(C(C)(C)C)o2)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-21(2,3)19-23-24-20(27-19)28-17(14-8-6-5-7-9-14)18(25)22-15-10-12-16(26-4)13-11-15/h5-13,17H,1-4H3,(H,22,25)
InChIKeyDYWWKNMOYYQZJB-UHFFFAOYSA-N
XLogP4.85
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712887
(2S)-N-(4-methoxyphenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 41023427
2-(3-acetamidophenyl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 18901188
N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907524
4-methoxy-N-[4-[2-oxo-1-phenyl-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]benzamide
CID 23096520
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645485
N-(4-methoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316509
N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786651
(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 11087415
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645368
2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 17392616
4-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide (CID 55764954) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide is COc1ccc(NC(=O)C(Sc2nnc(C(C)(C)C)o2)c2ccccc2)cc1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide?
The InChIKey is DYWWKNMOYYQZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-21(2,3)19-23-24-20(27-19)28-17(14-8-6-5-7-9-14)18(25)22-15-10-12-16(26-4)13-11-15/h5-13,17H,1-4H3,(H,22,25).
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide has a molecular weight of 397.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 55764954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).