N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide

C17H22N4O4S — CID 4100358

IUPACN-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)o1
InChIInChI=1S/C17H22N4O4S/c1-3-15-19-20-17(25-15)18-16(22)13-6-8-14(9-7-13)26(23,24)21-10-4-5-12(2)11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,20,22)
InChIKeyNMBOEFINAOYAEI-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.30
Rot. Bonds5

About N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide

N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 4100358) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID4100358
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)o1
InChIInChI=1S/C17H22N4O4S/c1-3-15-19-20-17(25-15)18-16(22)13-6-8-14(9-7-13)26(23,24)21-10-4-5-12(2)11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,20,22)
InChIKeyNMBOEFINAOYAEI-UHFFFAOYSA-N
XLogP2.30
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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 N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 4100358) is N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)o1.
What is the InChIKey of N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is NMBOEFINAOYAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-3-15-19-20-17(25-15)18-16(22)13-6-8-14(9-7-13)26(23,24)21-10-4-5-12(2)11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,20,22).
What are the key properties of N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 378.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4100358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).