2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C17H23N3O2S — CID 60519637

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CSc1nnc(C(C)(C)C)o1
InChIInChI=1S/C17H23N3O2S/c1-12-8-6-7-9-13(12)10-20(5)14(21)11-23-16-19-18-15(22-16)17(2,3)4/h6-9H,10-11H2,1-5H3
InChIKeyGGHCMVMFBMVMOK-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.43
Rot. Bonds5

About 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 60519637) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID60519637
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CSc1nnc(C(C)(C)C)o1
InChIInChI=1S/C17H23N3O2S/c1-12-8-6-7-9-13(12)10-20(5)14(21)11-23-16-19-18-15(22-16)17(2,3)4/h6-9H,10-11H2,1-5H3
InChIKeyGGHCMVMFBMVMOK-UHFFFAOYSA-N
XLogP3.43
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7683186
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methylphenyl)ethanone
CID 87019855
N-methyl-N-[(2-methylphenyl)methyl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 18777851
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 52639316
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7560893
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112786279
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9345806
N-[(4-chlorophenyl)methyl]-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7683188
N-methyl-N-[(2-methylphenyl)methyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 78764189
2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 32817713
N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145645

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 60519637) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)CSc1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is GGHCMVMFBMVMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-8-6-7-9-13(12)10-20(5)14(21)11-23-16-19-18-15(22-16)17(2,3)4/h6-9H,10-11H2,1-5H3.
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 60519637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).