N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide

C21H26N2O5S — CID 142207087

IUPACN,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESCc1ccccc1C1CCN(S(=O)(=O)c2ccccc2C(C)(O)C(=O)NO)CC1
InChIInChI=1S/C21H26N2O5S/c1-15-7-3-4-8-17(15)16-11-13-23(14-12-16)29(27,28)19-10-6-5-9-18(19)21(2,25)20(24)22-26/h3-10,16,25-26H,11-14H2,1-2H3,(H,22,24)
InChIKeyQYMOGAGOGIISBW-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.28
Rot. Bonds5

About N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide

N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide (PubChem CID 142207087) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound NameN,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide
PubChem CID142207087
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESCc1ccccc1C1CCN(S(=O)(=O)c2ccccc2C(C)(O)C(=O)NO)CC1
InChIInChI=1S/C21H26N2O5S/c1-15-7-3-4-8-17(15)16-11-13-23(14-12-16)29(27,28)19-10-6-5-9-18(19)21(2,25)20(24)22-26/h3-10,16,25-26H,11-14H2,1-2H3,(H,22,24)
InChIKeyQYMOGAGOGIISBW-UHFFFAOYSA-N
XLogP2.28
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide 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

1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119980070
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24573050
2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine
CID 57444924
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678902
4-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-ol
CID 103896734
4-(2-fluorophenyl)sulfonyl-7-(2-methylphenyl)-1,4-thiazepane
CID 90631477
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
2-hydroxy-N-(oxan-2-yloxy)-2-[2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylphenyl]propanamide
CID 20613392

Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide?
The IUPAC name of N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide (CID 142207087) is N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide is Cc1ccccc1C1CCN(S(=O)(=O)c2ccccc2C(C)(O)C(=O)NO)CC1.
What is the InChIKey of N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide?
The InChIKey is QYMOGAGOGIISBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-15-7-3-4-8-17(15)16-11-13-23(14-12-16)29(27,28)19-10-6-5-9-18(19)21(2,25)20(24)22-26/h3-10,16,25-26H,11-14H2,1-2H3,(H,22,24).
What are the key properties of N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide?
N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 418.52 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-2-[2-[4-(2-methylphenyl)piperidin-1-yl]sulfonylphenyl]propanamide is sourced from PubChem (CID 142207087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).