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

C19H20N4O4S2 — CID 2051070

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)CC1
InChIInChI=1S/C19H20N4O4S2/c1-13-8-10-23(11-9-13)29(25,26)15-6-4-14(5-7-15)17(24)20-19-22-21-18(27-19)16-3-2-12-28-16/h2-7,12-13H,8-11H2,1H3,(H,20,22,24)
InChIKeySEMIPRBGMNHAMV-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.47
Rot. Bonds5

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

4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2051070) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2051070
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)CC1
InChIInChI=1S/C19H20N4O4S2/c1-13-8-10-23(11-9-13)29(25,26)15-6-4-14(5-7-15)17(24)20-19-22-21-18(27-19)16-3-2-12-28-16/h2-7,12-13H,8-11H2,1H3,(H,20,22,24)
InChIKeySEMIPRBGMNHAMV-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 2051070) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is SEMIPRBGMNHAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-13-8-10-23(11-9-13)29(25,26)15-6-4-14(5-7-15)17(24)20-19-22-21-18(27-19)16-3-2-12-28-16/h2-7,12-13H,8-11H2,1H3,(H,20,22,24).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-(4-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 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2051070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).