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

C18H22N4O4S — CID 2051169

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4CC4)o3)cc2)CC1
InChIInChI=1S/C18H22N4O4S/c1-12-8-10-22(11-9-12)27(24,25)15-6-4-13(5-7-15)16(23)19-18-21-20-17(26-18)14-2-3-14/h4-7,12,14H,2-3,8-11H2,1H3,(H,19,21,23)
InChIKeyZXPCSLJLDNVNNY-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.62
Rot. Bonds5

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

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 2051169) 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-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID2051169
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4CC4)o3)cc2)CC1
InChIInChI=1S/C18H22N4O4S/c1-12-8-10-22(11-9-12)27(24,25)15-6-4-13(5-7-15)16(23)19-18-21-20-17(26-18)14-2-3-14/h4-7,12,14H,2-3,8-11H2,1H3,(H,19,21,23)
InChIKeyZXPCSLJLDNVNNY-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 2051169) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4CC4)o3)cc2)CC1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is ZXPCSLJLDNVNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-12-8-10-22(11-9-12)27(24,25)15-6-4-13(5-7-15)16(23)19-18-21-20-17(26-18)14-2-3-14/h4-7,12,14H,2-3,8-11H2,1H3,(H,19,21,23).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 390.47 g/mol, XLogP of 2.62, 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-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 2051169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).