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

C20H22N4O4S2 — CID 3240162

IUPAC4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C20H22N4O4S2/c1-2-15-6-3-4-12-24(15)30(26,27)16-10-8-14(9-11-16)18(25)21-20-23-22-19(28-20)17-7-5-13-29-17/h5,7-11,13,15H,2-4,6,12H2,1H3,(H,21,23,25)
InChIKeyNOLJZXYTEIQJEW-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.00
Rot. Bonds6

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

4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 3240162) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID3240162
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C20H22N4O4S2/c1-2-15-6-3-4-12-24(15)30(26,27)16-10-8-14(9-11-16)18(25)21-20-23-22-19(28-20)17-7-5-13-29-17/h5,7-11,13,15H,2-4,6,12H2,1H3,(H,21,23,25)
InChIKeyNOLJZXYTEIQJEW-UHFFFAOYSA-N
XLogP4.00
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 3491426
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CID 2057778
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CID 2057788
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CID 2104509
CID 2104509
CID 5080802
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CID 7254302
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CID 16830209
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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 3240162) is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is NOLJZXYTEIQJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-2-15-6-3-4-12-24(15)30(26,27)16-10-8-14(9-11-16)18(25)21-20-23-22-19(28-20)17-7-5-13-29-17/h5,7-11,13,15H,2-4,6,12H2,1H3,(H,21,23,25).
What are the key properties of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 446.55 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 3240162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).