N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide

C23H26N4O6S — CID 41059634

IUPACN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)o2)c(OC)c1
InChIInChI=1S/C23H26N4O6S/c1-15-5-4-12-27(14-15)34(29,30)18-9-6-16(7-10-18)21(28)24-23-26-25-22(33-23)19-11-8-17(31-2)13-20(19)32-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26,28)/t15-/m1/s1
InChIKeyHRRJNZRNKZCYED-OAHLLOKOSA-N
MW486.55 g/mol
LogP3.43
Rot. Bonds7

About N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide

N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 41059634) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID41059634
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC NameN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)o2)c(OC)c1
InChIInChI=1S/C23H26N4O6S/c1-15-5-4-12-27(14-15)34(29,30)18-9-6-16(7-10-18)21(28)24-23-26-25-22(33-23)19-11-8-17(31-2)13-20(19)32-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26,28)/t15-/m1/s1
InChIKeyHRRJNZRNKZCYED-OAHLLOKOSA-N
XLogP3.43
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 90603204
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26918777
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2158917
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155646
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 18558661
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 2158980
N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4103271
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 5079667
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 4161079
N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 3346875

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide (CID 41059634) is N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide is COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)o2)c(OC)c1.
What is the InChIKey of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is HRRJNZRNKZCYED-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-15-5-4-12-27(14-15)34(29,30)18-9-6-16(7-10-18)21(28)24-23-26-25-22(33-23)19-11-8-17(31-2)13-20(19)32-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26,28)/t15-/m1/s1.
What are the key properties of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 486.55 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 41059634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).