4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide

C21H27N3O5S — CID 22907066

IUPAC4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)NO)CCN(C)CC2)cc1
InChIInChI=1S/C21H27N3O5S/c1-23-14-12-21(13-15-23,20(25)22-26)24(16-17-6-4-3-5-7-17)30(27,28)19-10-8-18(29-2)9-11-19/h3-11,26H,12-16H2,1-2H3,(H,22,25)
InChIKeyDJXQCRVDPRLDCD-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.86
Rot. Bonds7

About 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide

4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide (PubChem CID 22907066) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide
PubChem CID22907066
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)NO)CCN(C)CC2)cc1
InChIInChI=1S/C21H27N3O5S/c1-23-14-12-21(13-15-23,20(25)22-26)24(16-17-6-4-3-5-7-17)30(27,28)19-10-8-18(29-2)9-11-19/h3-11,26H,12-16H2,1-2H3,(H,22,25)
InChIKeyDJXQCRVDPRLDCD-UHFFFAOYSA-N
XLogP1.86
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide
CID 22907056
methyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylate
CID 22907089
4-[benzyl-[4-(4-methylsulfonylphenoxy)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
CID 10289745
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
N-hydroxy-1-methyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 11589972
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278727
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide?
The IUPAC name of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide (CID 22907066) is 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide?
The canonical SMILES for 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)NO)CCN(C)CC2)cc1.
What is the InChIKey of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide?
The InChIKey is DJXQCRVDPRLDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-23-14-12-21(13-15-23,20(25)22-26)24(16-17-6-4-3-5-7-17)30(27,28)19-10-8-18(29-2)9-11-19/h3-11,26H,12-16H2,1-2H3,(H,22,25).
What are the key properties of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide?
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 22907066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).