4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C17H22N4O4S — CID 4154497

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)o1
InChIInChI=1S/C17H22N4O4S/c1-11-8-12(2)10-21(9-11)26(23,24)15-6-4-14(5-7-15)16(22)18-17-20-19-13(3)25-17/h4-7,11-12H,8-10H2,1-3H3,(H,18,20,22)
InChIKeyQWKHJDRZKJTBSE-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.30
Rot. Bonds4

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4154497) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4154497
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)o1
InChIInChI=1S/C17H22N4O4S/c1-11-8-12(2)10-21(9-11)26(23,24)15-6-4-14(5-7-15)16(22)18-17-20-19-13(3)25-17/h4-7,11-12H,8-10H2,1-3H3,(H,18,20,22)
InChIKeyQWKHJDRZKJTBSE-UHFFFAOYSA-N
XLogP2.30
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 4154497) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)o1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is QWKHJDRZKJTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-11-8-12(2)10-21(9-11)26(23,24)15-6-4-14(5-7-15)16(22)18-17-20-19-13(3)25-17/h4-7,11-12H,8-10H2,1-3H3,(H,18,20,22).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 378.45 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4154497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).