4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide

C17H18N6O4S2 — CID 43952019

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4csnn4)o3)cc2)CC1
InChIInChI=1S/C17H18N6O4S2/c1-11-6-8-23(9-7-11)29(25,26)13-4-2-12(3-5-13)15(24)18-17-21-20-16(27-17)14-10-28-22-19-14/h2-5,10-11H,6-9H2,1H3,(H,18,21,24)
InChIKeyPWRLGRGUYCYLOX-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.26
Rot. Bonds5

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

4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43952019) has the molecular formula C17H18N6O4S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43952019
Molecular FormulaC17H18N6O4S2
Molecular Weight434.50 g/mol
Exact Mass434.08
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4csnn4)o3)cc2)CC1
InChIInChI=1S/C17H18N6O4S2/c1-11-6-8-23(9-7-11)29(25,26)13-4-2-12(3-5-13)15(24)18-17-21-20-16(27-17)14-10-28-22-19-14/h2-5,10-11H,6-9H2,1H3,(H,18,21,24)
InChIKeyPWRLGRGUYCYLOX-UHFFFAOYSA-N
XLogP2.26
TPSA131.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(dimethylsulfamoyl)-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43952033
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3291723
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90602831
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 40956656
N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 41179127
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2051270
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25328763
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43976686
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26918777
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974579
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 90603204

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43952019) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4csnn4)o3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is PWRLGRGUYCYLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4S2/c1-11-6-8-23(9-7-11)29(25,26)13-4-2-12(3-5-13)15(24)18-17-21-20-16(27-17)14-10-28-22-19-14/h2-5,10-11H,6-9H2,1H3,(H,18,21,24).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 434.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43952019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).