4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C19H20N4O4S2 — CID 3244243

IUPAC4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13-5-2-3-11-23(13)29(25,26)15-9-7-14(8-10-15)17(24)20-19-22-21-18(27-19)16-6-4-12-28-16/h4,6-10,12-13H,2-3,5,11H2,1H3,(H,20,22,24)
InChIKeyPVKTUPSPVOCINT-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.61
Rot. Bonds5

About 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 3244243) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID3244243
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13-5-2-3-11-23(13)29(25,26)15-9-7-14(8-10-15)17(24)20-19-22-21-18(27-19)16-6-4-12-28-16/h4,6-10,12-13H,2-3,5,11H2,1H3,(H,20,22,24)
InChIKeyPVKTUPSPVOCINT-UHFFFAOYSA-N
XLogP3.61
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 2057778
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CID 2057788
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CID 2104509
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CID 3240162
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CID 5080802
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CID 7254302
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CID 16830209
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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 3244243) is 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is PVKTUPSPVOCINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-13-5-2-3-11-23(13)29(25,26)15-9-7-14(8-10-15)17(24)20-19-22-21-18(27-19)16-6-4-12-28-16/h4,6-10,12-13H,2-3,5,11H2,1H3,(H,20,22,24).
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 432.53 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 3244243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).