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

C17H22N4O4S2 — CID 3491426

IUPAC4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)o1
InChIInChI=1S/C17H22N4O4S2/c1-12-5-3-4-10-21(12)27(23,24)14-8-6-13(7-9-14)16(22)18-17-20-19-15(25-17)11-26-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,20,22)
InChIKeyDQKXVDMTLTWBSJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.75
Rot. Bonds6

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

4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 3491426) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID3491426
Molecular FormulaC17H22N4O4S2
Molecular Weight410.52 g/mol
Exact Mass410.11
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)o1
InChIInChI=1S/C17H22N4O4S2/c1-12-5-3-4-10-21(12)27(23,24)14-8-6-13(7-9-14)16(22)18-17-20-19-15(25-17)11-26-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,20,22)
InChIKeyDQKXVDMTLTWBSJ-UHFFFAOYSA-N
XLogP2.75
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 3491426) is 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)o1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is DQKXVDMTLTWBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-12-5-3-4-10-21(12)27(23,24)14-8-6-13(7-9-14)16(22)18-17-20-19-15(25-17)11-26-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,20,22).
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 410.52 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 3491426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).