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

C20H24N2O5S — CID 22907056

IUPAC1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)NO)CCCC2)cc1
InChIInChI=1S/C20H24N2O5S/c1-27-17-9-11-18(12-10-17)28(25,26)22(15-16-7-3-2-4-8-16)20(19(23)21-24)13-5-6-14-20/h2-4,7-12,24H,5-6,13-15H2,1H3,(H,21,23)
InChIKeyKKQOLXFKLVGLJC-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.70
Rot. Bonds7

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

1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide (PubChem CID 22907056) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide
PubChem CID22907056
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)NO)CCCC2)cc1
InChIInChI=1S/C20H24N2O5S/c1-27-17-9-11-18(12-10-17)28(25,26)22(15-16-7-3-2-4-8-16)20(19(23)21-24)13-5-6-14-20/h2-4,7-12,24H,5-6,13-15H2,1H3,(H,21,23)
InChIKeyKKQOLXFKLVGLJC-UHFFFAOYSA-N
XLogP2.70
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-methylpiperidine-4-carboxamide
CID 22907066
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-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
cis-(1S,2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid;hydroxylamine
CID 70098521
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799
N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide
CID 1025614

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide?
The IUPAC name of 1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide (CID 22907056) is 1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for 1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for 1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)NO)CCCC2)cc1.
What is the InChIKey of 1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide?
The InChIKey is KKQOLXFKLVGLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-27-17-9-11-18(12-10-17)28(25,26)22(15-16-7-3-2-4-8-16)20(19(23)21-24)13-5-6-14-20/h2-4,7-12,24H,5-6,13-15H2,1H3,(H,21,23).
What are the key properties of 1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide?
1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 22907056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).