3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C24H27N3O6S — CID 166323315

IUPAC3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCOc1cccc(C(O)C2CCN(C(=O)c3cccc(S(=O)(=O)Nc4cc(C)on4)c3)CC2)c1
InChIInChI=1S/C24H27N3O6S/c1-16-13-22(25-33-16)26-34(30,31)21-8-4-6-19(15-21)24(29)27-11-9-17(10-12-27)23(28)18-5-3-7-20(14-18)32-2/h3-8,13-15,17,23,28H,9-12H2,1-2H3,(H,25,26)
InChIKeyMBEWGBLIGXAACF-UHFFFAOYSA-N
MW485.56 g/mol
LogP3.38
Rot. Bonds7

About 3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 166323315) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is 3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID166323315
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Name3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCOc1cccc(C(O)C2CCN(C(=O)c3cccc(S(=O)(=O)Nc4cc(C)on4)c3)CC2)c1
InChIInChI=1S/C24H27N3O6S/c1-16-13-22(25-33-16)26-34(30,31)21-8-4-6-19(15-21)24(29)27-11-9-17(10-12-27)23(28)18-5-3-7-20(14-18)32-2/h3-8,13-15,17,23,28H,9-12H2,1-2H3,(H,25,26)
InChIKeyMBEWGBLIGXAACF-UHFFFAOYSA-N
XLogP3.38
TPSA121.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide 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

3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 109064428
N-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 27229043
3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 166402507
3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 55517416
3-[4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 25350794
4-[(R)-hydroxy(phenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 30598601
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038
3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 55987572
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
N-(cyclopropylmethyl)-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956827

Frequently Asked Questions

What is the IUPAC name of 3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 166323315) is 3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is COc1cccc(C(O)C2CCN(C(=O)c3cccc(S(=O)(=O)Nc4cc(C)on4)c3)CC2)c1.
What is the InChIKey of 3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is MBEWGBLIGXAACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-16-13-22(25-33-16)26-34(30,31)21-8-4-6-19(15-21)24(29)27-11-9-17(10-12-27)23(28)18-5-3-7-20(14-18)32-2/h3-8,13-15,17,23,28H,9-12H2,1-2H3,(H,25,26).
What are the key properties of 3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 485.56 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 166323315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).