2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C19H20N4O4S — CID 27144414

IUPAC2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cn2nc(-c3cccs3)oc2=O)c(C)c1
InChIInChI=1S/C19H20N4O4S/c1-11-7-12(2)17(13(3)8-11)21-15(24)9-20-16(25)10-23-19(26)27-18(22-23)14-5-4-6-28-14/h4-8H,9-10H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyBSXYKMWMGSAGCP-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.24
Rot. Bonds6

About 2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 27144414) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID27144414
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cn2nc(-c3cccs3)oc2=O)c(C)c1
InChIInChI=1S/C19H20N4O4S/c1-11-7-12(2)17(13(3)8-11)21-15(24)9-20-16(25)10-23-19(26)27-18(22-23)14-5-4-6-28-14/h4-8H,9-10H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyBSXYKMWMGSAGCP-UHFFFAOYSA-N
XLogP2.24
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 30778648
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
N-(2,6-dimethylphenyl)-2-[4-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 35951851
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 34773509
5-thiophen-2-yl-3-[(2,4,6-trimethylphenyl)methyl]-1,3,4-oxadiazol-2-one
CID 60590586
N-[(4-methoxyphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550291
N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide
CID 38136167
N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 60556897
methyl 4,5-dimethyl-2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 27144348
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylphenyl)acetamide
CID 26566443
N-(benzylcarbamoyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550672
2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
CID 126470275

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 27144414) is 2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC(=O)Cn2nc(-c3cccs3)oc2=O)c(C)c1.
What is the InChIKey of 2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BSXYKMWMGSAGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-11-7-12(2)17(13(3)8-11)21-15(24)9-20-16(25)10-23-19(26)27-18(22-23)14-5-4-6-28-14/h4-8H,9-10H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of 2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 400.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 27144414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).