4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

C20H27N5O5S2 — CID 18562147

IUPAC4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCC1CCN(C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)CC1
InChIInChI=1S/C20H27N5O5S2/c1-14-8-10-25(11-9-14)18(26)13-31-20-23-22-17(30-20)12-21-19(27)15-4-6-16(7-5-15)32(28,29)24(2)3/h4-7,14H,8-13H2,1-3H3,(H,21,27)
InChIKeyXIBGHVFSFIIJHR-UHFFFAOYSA-N
MW481.60 g/mol
LogP1.60
Rot. Bonds8

About 4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 18562147) has the molecular formula C20H27N5O5S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID18562147
Molecular FormulaC20H27N5O5S2
Molecular Weight481.60 g/mol
Exact Mass481.15
IUPAC Name4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCC1CCN(C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)CC1
InChIInChI=1S/C20H27N5O5S2/c1-14-8-10-25(11-9-14)18(26)13-31-20-23-22-17(30-20)12-21-19(27)15-4-6-16(7-5-15)32(28,29)24(2)3/h4-7,14H,8-13H2,1-3H3,(H,21,27)
InChIKeyXIBGHVFSFIIJHR-UHFFFAOYSA-N
XLogP1.60
TPSA125.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 18562147) is 4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is CC1CCN(C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)CC1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is XIBGHVFSFIIJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5S2/c1-14-8-10-25(11-9-14)18(26)13-31-20-23-22-17(30-20)12-21-19(27)15-4-6-16(7-5-15)32(28,29)24(2)3/h4-7,14H,8-13H2,1-3H3,(H,21,27).
What are the key properties of 4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 481.60 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 18562147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).