4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

C20H26N4O4S — CID 130448380

IUPAC4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC(=O)N1CCC(c2noc([C@@H]3[C@@H](c4ccc(S(N)(=O)=O)cc4)C3(C)C)n2)CC1
InChIInChI=1S/C20H26N4O4S/c1-12(25)24-10-8-14(9-11-24)18-22-19(28-23-18)17-16(20(17,2)3)13-4-6-15(7-5-13)29(21,26)27/h4-7,14,16-17H,8-11H2,1-3H3,(H2,21,26,27)/t16-,17+/m1/s1
InChIKeyCSFRKTJXURYDON-SJORKVTESA-N
MW418.52 g/mol
LogP2.35
Rot. Bonds4

About 4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 130448380) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID130448380
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC(=O)N1CCC(c2noc([C@@H]3[C@@H](c4ccc(S(N)(=O)=O)cc4)C3(C)C)n2)CC1
InChIInChI=1S/C20H26N4O4S/c1-12(25)24-10-8-14(9-11-24)18-22-19(28-23-18)17-16(20(17,2)3)13-4-6-15(7-5-13)29(21,26)27/h4-7,14,16-17H,8-11H2,1-3H3,(H2,21,26,27)/t16-,17+/m1/s1
InChIKeyCSFRKTJXURYDON-SJORKVTESA-N
XLogP2.35
TPSA119.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide 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-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 130448380) is 4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is CC(=O)N1CCC(c2noc([C@@H]3[C@@H](c4ccc(S(N)(=O)=O)cc4)C3(C)C)n2)CC1.
What is the InChIKey of 4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is CSFRKTJXURYDON-SJORKVTESA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-12(25)24-10-8-14(9-11-24)18-22-19(28-23-18)17-16(20(17,2)3)13-4-6-15(7-5-13)29(21,26)27/h4-7,14,16-17H,8-11H2,1-3H3,(H2,21,26,27)/t16-,17+/m1/s1.
What are the key properties of 4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-3-[3-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).