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

C23H25N3O5S — CID 24806175

IUPAC(2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](Nc3ccccc3)C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H25N3O5S/c1-17-8-12-20(13-9-17)31-21-14-10-19(11-15-21)26(32(2,29)30)16-22(23(27)25-28)24-18-6-4-3-5-7-18/h3-15,22,24,28H,16H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyJKSLNLNYDBSARV-QFIPXVFZSA-N
MW455.54 g/mol
LogP3.54
Rot. Bonds9

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

(2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (PubChem CID 24806175) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is (2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.

Molecular Properties

Compound Name(2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
PubChem CID24806175
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name(2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](Nc3ccccc3)C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H25N3O5S/c1-17-8-12-20(13-9-17)31-21-14-10-19(11-15-21)26(32(2,29)30)16-22(23(27)25-28)24-18-6-4-3-5-7-18/h3-15,22,24,28H,16H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyJKSLNLNYDBSARV-QFIPXVFZSA-N
XLogP3.54
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.54
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-((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-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108138
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
(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
(S)-N-hydroxy-2-(isobutylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24951590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The IUPAC name of (2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (CID 24806175) is (2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.
What is the SMILES notation for (2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The canonical SMILES for (2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is Cc1ccc(Oc2ccc(N(C[C@H](Nc3ccccc3)C(=O)NO)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The InChIKey is JKSLNLNYDBSARV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-17-8-12-20(13-9-17)31-21-14-10-19(11-15-21)26(32(2,29)30)16-22(23(27)25-28)24-18-6-4-3-5-7-18/h3-15,22,24,28H,16H2,1-2H3,(H,25,27)/t22-/m0/s1.
What are the key properties of (2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
(2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide has a molecular weight of 455.54 g/mol, XLogP of 3.54, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is sourced from PubChem (CID 24806175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).