2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide

C22H29N3O6S — CID 10552056

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CCN2CCOCC2)C(=O)NO)cc1
InChIInChI=1S/C22H29N3O6S/c1-30-19-7-9-20(10-8-19)32(28,29)25(17-18-5-3-2-4-6-18)21(22(26)23-27)11-12-24-13-15-31-16-14-24/h2-10,21,27H,11-17H2,1H3,(H,23,26)
InChIKeyMAVRREDBECZBFO-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.48
Rot. Bonds10

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide (PubChem CID 10552056) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide
PubChem CID10552056
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CCN2CCOCC2)C(=O)NO)cc1
InChIInChI=1S/C22H29N3O6S/c1-30-19-7-9-20(10-8-19)32(28,29)25(17-18-5-3-2-4-6-18)21(22(26)23-27)11-12-24-13-15-31-16-14-24/h2-10,21,27H,11-17H2,1H3,(H,23,26)
InChIKeyMAVRREDBECZBFO-UHFFFAOYSA-N
XLogP1.48
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide
CID 445018
N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide
CID 5289389
(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-2-phenylacetamide
CID 10502537
MMP-3 Inhibitor VIII
CID 10549329
N-hydroxy-2-[(4-methoxybenzene)(2-phenylethyl)sulfonamido]acetamide
CID 10570770
N-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]acetamide
CID 10594000
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
CID 10594938
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-3,3-dimethylbutanamide
CID 10621353
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799
N-hydroxy-2-[[4-methoxybenzenesulfonyl](4-methoxybenzyl)amino]acetamide
CID 10691191
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(methylsulfanyl)butanamide
CID 10693625

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide (CID 10552056) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(CCN2CCOCC2)C(=O)NO)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide?
The InChIKey is MAVRREDBECZBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-30-19-7-9-20(10-8-19)32(28,29)25(17-18-5-3-2-4-6-18)21(22(26)23-27)11-12-24-13-15-31-16-14-24/h2-10,21,27H,11-17H2,1H3,(H,23,26).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide has a molecular weight of 463.56 g/mol, XLogP of 1.48, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-4-morpholin-4-ylbutanamide is sourced from PubChem (CID 10552056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).