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

C20H22N4O4S2 — CID 50829149

IUPAC2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNS(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c(C)c1
InChIInChI=1S/C20H22N4O4S2/c1-12-6-7-16(13(2)8-12)22-17(25)10-21-30(26,27)18-9-15(11-29-18)19-23-20(28-24-19)14-4-3-5-14/h6-9,11,14,21H,3-5,10H2,1-2H3,(H,22,25)
InChIKeyIBMQMRQPLCHRKU-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.60
Rot. Bonds7

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

2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 50829149) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID50829149
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC Name2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNS(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c(C)c1
InChIInChI=1S/C20H22N4O4S2/c1-12-6-7-16(13(2)8-12)22-17(25)10-21-30(26,27)18-9-15(11-29-18)19-23-20(28-24-19)14-4-3-5-14/h6-9,11,14,21H,3-5,10H2,1-2H3,(H,22,25)
InChIKeyIBMQMRQPLCHRKU-UHFFFAOYSA-N
XLogP3.60
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide (CID 50829149) is 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CNS(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c(C)c1.
What is the InChIKey of 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is IBMQMRQPLCHRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-12-6-7-16(13(2)8-12)22-17(25)10-21-30(26,27)18-9-15(11-29-18)19-23-20(28-24-19)14-4-3-5-14/h6-9,11,14,21H,3-5,10H2,1-2H3,(H,22,25).
What are the key properties of 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 446.55 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 50829149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).