N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide

C20H24N4O6S2 — CID 3226283

IUPACN,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C3)n2)o1
InChIInChI=1S/C20H24N4O6S2/c1-14-6-11-18(29-14)19-21-20(30-22-19)15-5-4-12-24(13-15)32(27,28)17-9-7-16(8-10-17)31(25,26)23(2)3/h6-11,15H,4-5,12-13H2,1-3H3
InChIKeyADOYZNXTCFFSDX-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.46
Rot. Bonds6

About N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide

N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 3226283) has the molecular formula C20H24N4O6S2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID3226283
Molecular FormulaC20H24N4O6S2
Molecular Weight480.57 g/mol
Exact Mass480.11
IUPAC NameN,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C3)n2)o1
InChIInChI=1S/C20H24N4O6S2/c1-14-6-11-18(29-14)19-21-20(30-22-19)15-5-4-12-24(13-15)32(27,28)17-9-7-16(8-10-17)31(25,26)23(2)3/h6-11,15H,4-5,12-13H2,1-3H3
InChIKeyADOYZNXTCFFSDX-UHFFFAOYSA-N
XLogP2.46
TPSA126.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide 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 N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide (CID 3226283) is N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide is Cc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C3)n2)o1.
What is the InChIKey of N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is ADOYZNXTCFFSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6S2/c1-14-6-11-18(29-14)19-21-20(30-22-19)15-5-4-12-24(13-15)32(27,28)17-9-7-16(8-10-17)31(25,26)23(2)3/h6-11,15H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide?
N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 480.57 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 3226283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).