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

C20H22N4O4S2 — CID 3242189

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C1
InChIInChI=1S/C20H22N4O4S2/c1-13-10-14(2)12-24(11-13)30(26,27)16-7-5-15(6-8-16)18(25)21-20-23-22-19(28-20)17-4-3-9-29-17/h3-9,13-14H,10-12H2,1-2H3,(H,21,23,25)
InChIKeyRSVYERVUTYOQAF-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.72
Rot. Bonds5

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

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 3242189) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID3242189
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C1
InChIInChI=1S/C20H22N4O4S2/c1-13-10-14(2)12-24(11-13)30(26,27)16-7-5-15(6-8-16)18(25)21-20-23-22-19(28-20)17-4-3-9-29-17/h3-9,13-14H,10-12H2,1-2H3,(H,21,23,25)
InChIKeyRSVYERVUTYOQAF-UHFFFAOYSA-N
XLogP3.72
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 3242189) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is RSVYERVUTYOQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-13-10-14(2)12-24(11-13)30(26,27)16-7-5-15(6-8-16)18(25)21-20-23-22-19(28-20)17-4-3-9-29-17/h3-9,13-14H,10-12H2,1-2H3,(H,21,23,25).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-(3,5-dimethylpiperidin-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 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 3242189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).