4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C19H26N4O4S — CID 3338156

IUPAC4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)C)o2)cc1
InChIInChI=1S/C19H26N4O4S/c1-4-15-7-5-6-12-23(15)28(25,26)16-10-8-14(9-11-16)17(24)20-19-22-21-18(27-19)13(2)3/h8-11,13,15H,4-7,12H2,1-3H3,(H,20,22,24)
InChIKeyPIXSGKHMRTYXLY-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.40
Rot. Bonds6

About 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 3338156) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID3338156
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)C)o2)cc1
InChIInChI=1S/C19H26N4O4S/c1-4-15-7-5-6-12-23(15)28(25,26)16-10-8-14(9-11-16)17(24)20-19-22-21-18(27-19)13(2)3/h8-11,13,15H,4-7,12H2,1-3H3,(H,20,22,24)
InChIKeyPIXSGKHMRTYXLY-UHFFFAOYSA-N
XLogP3.40
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7166838
4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7166839
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide
CID 2159038
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2S)-2-ethylpiperidin-1-yl]sulfonylbenzamide
CID 2159037
4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977195
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 43974344
4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977174
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058846
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
CID 109061511
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2155664
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16942353

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 3338156) is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)C)o2)cc1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is PIXSGKHMRTYXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-4-15-7-5-6-12-23(15)28(25,26)16-10-8-14(9-11-16)17(24)20-19-22-21-18(27-19)13(2)3/h8-11,13,15H,4-7,12H2,1-3H3,(H,20,22,24).
What are the key properties of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 406.51 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 3338156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).