(2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

C18H22N2O6S — CID 24956228

IUPAC(2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCO[C@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO
InChIInChI=1S/C18H22N2O6S/c1-13-4-8-15(9-5-13)26-16-10-6-14(7-11-16)20(27(3,23)24)12-17(25-2)18(21)19-22/h4-11,17,22H,12H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyBNMLMEDMDSOEPR-QGZVFWFLSA-N
MW394.45 g/mol
LogP2.07
Rot. Bonds8

About (2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

(2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (PubChem CID 24956228) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
PubChem CID24956228
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name(2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCO[C@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO
InChIInChI=1S/C18H22N2O6S/c1-13-4-8-15(9-5-13)26-16-10-6-14(7-11-16)20(27(3,23)24)12-17(25-2)18(21)19-22/h4-11,17,22H,12H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyBNMLMEDMDSOEPR-QGZVFWFLSA-N
XLogP2.07
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.07
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

(S)-N-hydroxy-2-(phenylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24806175
(S)-N-hydroxy-2-((S)-1-phenylethylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24951953
(S)-N-hydroxy-2-(3-methoxyphenylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24952316
(S)-2-(cis-2,6-dimethylmorpholino)-N-hydroxy-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24954798
(S)-N-hydroxy-2-(isopropylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24956229
(S)-2-(3-fluorophenylamino)-N-hydroxy-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 44447344
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
(S)-N,2-dihydroxy-3-(N-(4-(p-tolyloxy)phenyl)methan-8-ylsulfonamido)propanamide
CID 24806172
(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide
CID 24806173
(S)-N-hydroxy-2-morpholino-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24806176
N,2-dihydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 24882535

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (CID 24956228) is (2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is CO[C@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO.
What is the InChIKey of (2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The InChIKey is BNMLMEDMDSOEPR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-13-4-8-15(9-5-13)26-16-10-6-14(7-11-16)20(27(3,23)24)12-17(25-2)18(21)19-22/h4-11,17,22H,12H2,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
(2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide has a molecular weight of 394.45 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is sourced from PubChem (CID 24956228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).