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

C18H22N4O4S — CID 4294965

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C18H22N4O4S/c1-12-4-2-3-11-22(12)27(24,25)15-9-7-13(8-10-15)16(23)19-18-21-20-17(26-18)14-5-6-14/h7-10,12,14H,2-6,11H2,1H3,(H,19,21,23)
InChIKeyBUQHVFKKCFXOMD-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.76
Rot. Bonds5

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

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 4294965) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID4294965
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C18H22N4O4S/c1-12-4-2-3-11-22(12)27(24,25)15-9-7-13(8-10-15)16(23)19-18-21-20-17(26-18)14-5-6-14/h7-10,12,14H,2-6,11H2,1H3,(H,19,21,23)
InChIKeyBUQHVFKKCFXOMD-UHFFFAOYSA-N
XLogP2.76
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[ethyl-(phenylmethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2155679
4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155619
4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3491426
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(N-methyl-N-phenylsulfamoyl)benzamide
CID 2051141
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 2051160
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide
CID 2051169
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 2051205
4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051211
4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051214
N-(5-(methoxymethyl)-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 2051227
4-(N,N-dimethylsulfamoyl)-N-(5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 2051259
4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051278

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 4294965) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is BUQHVFKKCFXOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-12-4-2-3-11-22(12)27(24,25)15-9-7-13(8-10-15)16(23)19-18-21-20-17(26-18)14-5-6-14/h7-10,12,14H,2-6,11H2,1H3,(H,19,21,23).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 390.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4294965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).