N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide

C17H16N4O4S — CID 47772151

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)Cn2c(-c3cccs3)noc2=O)c(C)c1
InChIInChI=1S/C17H16N4O4S/c1-10-5-6-12(11(2)8-10)18-16(23)19-14(22)9-21-15(20-25-17(21)24)13-4-3-7-26-13/h3-8H,9H2,1-2H3,(H2,18,19,22,23)
InChIKeyDRWJEYXBNSIVMI-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.53
Rot. Bonds4

About N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 47772151) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID47772151
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)Cn2c(-c3cccs3)noc2=O)c(C)c1
InChIInChI=1S/C17H16N4O4S/c1-10-5-6-12(11(2)8-10)18-16(23)19-14(22)9-21-15(20-25-17(21)24)13-4-3-7-26-13/h3-8H,9H2,1-2H3,(H2,18,19,22,23)
InChIKeyDRWJEYXBNSIVMI-UHFFFAOYSA-N
XLogP2.53
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (CID 47772151) is N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is Cc1ccc(NC(=O)NC(=O)Cn2c(-c3cccs3)noc2=O)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is DRWJEYXBNSIVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-10-5-6-12(11(2)8-10)18-16(23)19-14(22)9-21-15(20-25-17(21)24)13-4-3-7-26-13/h3-8H,9H2,1-2H3,(H2,18,19,22,23).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 372.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 47772151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).