(2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

C23H24ClN3O5S — CID 24951950

IUPAC(2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](Nc3cccc(Cl)c3)C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H24ClN3O5S/c1-16-6-10-20(11-7-16)32-21-12-8-19(9-13-21)27(33(2,30)31)15-22(23(28)26-29)25-18-5-3-4-17(24)14-18/h3-14,22,25,29H,15H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyROZSKUGTEUMAMI-QFIPXVFZSA-N
MW489.98 g/mol
LogP4.19
Rot. Bonds9

About (2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

(2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (PubChem CID 24951950) has the molecular formula C23H24ClN3O5S and a molecular weight of 489.98 g/mol. Its IUPAC name is (2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
PubChem CID24951950
Molecular FormulaC23H24ClN3O5S
Molecular Weight489.98 g/mol
Exact Mass489.11
IUPAC Name(2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](Nc3cccc(Cl)c3)C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H24ClN3O5S/c1-16-6-10-20(11-7-16)32-21-12-8-19(9-13-21)27(33(2,30)31)15-22(23(28)26-29)25-18-5-3-4-17(24)14-18/h3-14,22,25,29H,15H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyROZSKUGTEUMAMI-QFIPXVFZSA-N
XLogP4.19
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 54.19
H-Bond Donors ≤ 53
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)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-2-ylsulfonamido)-2-(cis-2,6-dimethylmorpholino)-N-hydroxypropanamide
CID 24954431
(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-[Benzenesulfonyl-(4-methoxy-phenyl)-amino]-N-(3-chloro-2-methyl-phenyl)-acetamide
CID 1134581
(S)-N-hydroxy-2-morpholino-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24806176
(S)-N-hydroxy-2-(isobutylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24951590
(S)-N-hydroxy-2-((R)-1-phenylethylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24951952
(S)-N-hydroxy-2-(isopropylamino)-3-(N-(4-(4-(trifluoromethyl)phenoxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24952678

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The IUPAC name of (2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (CID 24951950) is (2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.
What is the SMILES notation for (2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The canonical SMILES for (2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is Cc1ccc(Oc2ccc(N(C[C@H](Nc3cccc(Cl)c3)C(=O)NO)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The InChIKey is ROZSKUGTEUMAMI-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24ClN3O5S/c1-16-6-10-20(11-7-16)32-21-12-8-19(9-13-21)27(33(2,30)31)15-22(23(28)26-29)25-18-5-3-4-17(24)14-18/h3-14,22,25,29H,15H2,1-2H3,(H,26,28)/t22-/m0/s1.
What are the key properties of (2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
(2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide has a molecular weight of 489.98 g/mol, XLogP of 4.19, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is sourced from PubChem (CID 24951950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).