N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide

C26H32N2O6S — CID 70662060

IUPACN-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide
SMILESCOc1ccc(S(=O)(=O)C(C)(CNC(=O)c2ccccc2O)Cc2cc(CC(C)(C)C)no2)cc1
InChIInChI=1S/C26H32N2O6S/c1-25(2,3)15-18-14-20(34-28-18)16-26(4,17-27-24(30)22-8-6-7-9-23(22)29)35(31,32)21-12-10-19(33-5)11-13-21/h6-14,29H,15-17H2,1-5H3,(H,27,30)
InChIKeyHSFIPZMJAUMVTK-UHFFFAOYSA-N
MW500.62 g/mol
LogP4.18
Rot. Bonds9

About N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide

N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide (PubChem CID 70662060) has the molecular formula C26H32N2O6S and a molecular weight of 500.62 g/mol. Its IUPAC name is N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide
PubChem CID70662060
Molecular FormulaC26H32N2O6S
Molecular Weight500.62 g/mol
Exact Mass500.20
IUPAC NameN-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide
SMILESCOc1ccc(S(=O)(=O)C(C)(CNC(=O)c2ccccc2O)Cc2cc(CC(C)(C)C)no2)cc1
InChIInChI=1S/C26H32N2O6S/c1-25(2,3)15-18-14-20(34-28-18)16-26(4,17-27-24(30)22-8-6-7-9-23(22)29)35(31,32)21-12-10-19(33-5)11-13-21/h6-14,29H,15-17H2,1-5H3,(H,27,30)
InChIKeyHSFIPZMJAUMVTK-UHFFFAOYSA-N
XLogP4.18
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.62
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide 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

2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
CID 63858949
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-hydroxyphenyl)sulfonyl-3-methylbutan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methoxyphenyl)sulfonyl-3-methylbutan-2-one
CID 161325193
2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 101344836
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 59662655
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551
N-[3-(3-tert-butylphenyl)-2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide
CID 70662037
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 71782026
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 16867217
2-iodo-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 50874673

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide (CID 70662060) is N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide is COc1ccc(S(=O)(=O)C(C)(CNC(=O)c2ccccc2O)Cc2cc(CC(C)(C)C)no2)cc1.
What is the InChIKey of N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide?
The InChIKey is HSFIPZMJAUMVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6S/c1-25(2,3)15-18-14-20(34-28-18)16-26(4,17-27-24(30)22-8-6-7-9-23(22)29)35(31,32)21-12-10-19(33-5)11-13-21/h6-14,29H,15-17H2,1-5H3,(H,27,30).
What are the key properties of N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide?
N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide has a molecular weight of 500.62 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-(4-methoxyphenyl)sulfonyl-2-methylpropyl]-2-hydroxybenzamide is sourced from PubChem (CID 70662060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).