2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide

C21H23N3O2S — CID 39702738

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCc1nc(CSc2ccccc2C(=O)NCC(C)(C)c2ccccc2)no1
InChIInChI=1S/C21H23N3O2S/c1-15-23-19(24-26-15)13-27-18-12-8-7-11-17(18)20(25)22-14-21(2,3)16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyAJGCPPDZFXKWCZ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.38
Rot. Bonds7

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide (PubChem CID 39702738) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide
PubChem CID39702738
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCc1nc(CSc2ccccc2C(=O)NCC(C)(C)c2ccccc2)no1
InChIInChI=1S/C21H23N3O2S/c1-15-23-19(24-26-15)13-27-18-12-8-7-11-17(18)20(25)22-14-21(2,3)16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyAJGCPPDZFXKWCZ-UHFFFAOYSA-N
XLogP4.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 134025623
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)benzamide
CID 36943338
N-[(4-chlorophenyl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 36701837
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 46419788
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39509186
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 42941720
N-(4-bromophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46530867
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 46552087
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 37095800
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 71943116
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46552470
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46551445

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide (CID 39702738) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide is Cc1nc(CSc2ccccc2C(=O)NCC(C)(C)c2ccccc2)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide?
The InChIKey is AJGCPPDZFXKWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15-23-19(24-26-15)13-27-18-12-8-7-11-17(18)20(25)22-14-21(2,3)16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide has a molecular weight of 381.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide is sourced from PubChem (CID 39702738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).