(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide

C23H24N2O5S — CID 11797375

IUPAC(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C23H24N2O5S/c1-30-20-12-14-21(15-13-20)31(28,29)25(17-19-10-6-3-7-11-19)22(23(26)24-27)16-18-8-4-2-5-9-18/h2-15,22,27H,16-17H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyLJXAVTUOWRDMBX-JOCHJYFZSA-N
MW440.52 g/mol
LogP3.00
Rot. Bonds9

About (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide

(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide (PubChem CID 11797375) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide
PubChem CID11797375
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C23H24N2O5S/c1-30-20-12-14-21(15-13-20)31(28,29)25(17-19-10-6-3-7-11-19)22(23(26)24-27)16-18-8-4-2-5-9-18/h2-15,22,27H,16-17H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyLJXAVTUOWRDMBX-JOCHJYFZSA-N
XLogP3.00
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.00
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

1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide
CID 445018
(3R)-N-hydroxy-2-{[4-(4-methoxyphenyl)phenyl]methyl}-1,1-dioxo-1$l^{6},2-thiazinane-3-carboxamide
CID 11429232
(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide
CID 9843079
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-2-phenylacetamide
CID 10502537
MMP-3 Inhibitor VIII
CID 10549329
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(morpholin-4-yl)butanamide
CID 10552056
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-[(cyclohexylmethyl)(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10618255
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-3,3-dimethylbutanamide
CID 10621353

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The IUPAC name of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide (CID 11797375) is (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The InChIKey is LJXAVTUOWRDMBX-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-30-20-12-14-21(15-13-20)31(28,29)25(17-19-10-6-3-7-11-19)22(23(26)24-27)16-18-8-4-2-5-9-18/h2-15,22,27H,16-17H2,1H3,(H,24,26)/t22-/m1/s1.
What are the key properties of (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide?
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide has a molecular weight of 440.52 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 11797375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).