N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide

C19H20N4O4S — CID 17083319

IUPACN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2nc(-c3cccs3)no2)c(C)c1
InChIInChI=1S/C19H20N4O4S/c1-12-5-6-14(13(2)10-12)26-11-16(24)20-7-8-21-18(25)19-22-17(23-27-19)15-4-3-9-28-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyGPFGZIHUPZAMHF-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.34
Rot. Bonds8

About N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide

N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17083319) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID17083319
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2nc(-c3cccs3)no2)c(C)c1
InChIInChI=1S/C19H20N4O4S/c1-12-5-6-14(13(2)10-12)26-11-16(24)20-7-8-21-18(25)19-22-17(23-27-19)15-4-3-9-28-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyGPFGZIHUPZAMHF-UHFFFAOYSA-N
XLogP2.34
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083307
N-[2-[(3,4-diethoxybenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 16764750
N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083877
N-[2-[(2-methoxybenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083291
N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 29127652
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 92801395
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108571566
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083296
3-(2-fluorophenyl)-N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084296
3-(4-methylphenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083485
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108539406
2-(3,4-dimethylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 92801393

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 17083319) is N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide is Cc1ccc(OCC(=O)NCCNC(=O)c2nc(-c3cccs3)no2)c(C)c1.
What is the InChIKey of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GPFGZIHUPZAMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-12-5-6-14(13(2)10-12)26-11-16(24)20-7-8-21-18(25)19-22-17(23-27-19)15-4-3-9-28-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17083319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).