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

C21H23N3O2S — CID 51209317

IUPACN,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nnc(-c2ccc(C)cc2)o1)c1ccccc1
InChIInChI=1S/C21H23N3O2S/c1-4-24(5-2)20(25)18(16-9-7-6-8-10-16)27-21-23-22-19(26-21)17-13-11-15(3)12-14-17/h6-14,18H,4-5H2,1-3H3
InChIKeyNOYMBRSOVCFTBY-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.75
Rot. Bonds7

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

N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide (PubChem CID 51209317) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
PubChem CID51209317
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nnc(-c2ccc(C)cc2)o1)c1ccccc1
InChIInChI=1S/C21H23N3O2S/c1-4-24(5-2)20(25)18(16-9-7-6-8-10-16)27-21-23-22-19(26-21)17-13-11-15(3)12-14-17/h6-14,18H,4-5H2,1-3H3
InChIKeyNOYMBRSOVCFTBY-UHFFFAOYSA-N
XLogP4.75
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 42982138
ethyl 2-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 4215757
2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 24597995
ethyl (2S)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetate
CID 7661122
N-benzyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
CID 43029363
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpropan-1-one
CID 4825081
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-diphenylethanone
CID 7794338
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879334
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7940607
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 4814019
(2S)-N-ethyl-N-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2673980
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 17475511

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide (CID 51209317) is N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide is CCN(CC)C(=O)C(Sc1nnc(-c2ccc(C)cc2)o1)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?
The InChIKey is NOYMBRSOVCFTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-4-24(5-2)20(25)18(16-9-7-6-8-10-16)27-21-23-22-19(26-21)17-13-11-15(3)12-14-17/h6-14,18H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?
N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide has a molecular weight of 381.50 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 51209317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).