(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

C17H20N2O6S — CID 24806172

IUPAC(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O6S/c1-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)19(26(2,23)24)11-16(20)17(21)18-22/h3-10,16,20,22H,11H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyBMSDLUUZGPIUGG-INIZCTEOSA-N
MW380.42 g/mol
LogP1.42
Rot. Bonds7

About (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (PubChem CID 24806172) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.

Molecular Properties

Compound Name(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
PubChem CID24806172
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O6S/c1-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)19(26(2,23)24)11-16(20)17(21)18-22/h3-10,16,20,22H,11H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyBMSDLUUZGPIUGG-INIZCTEOSA-N
XLogP1.42
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.42
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)-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
(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
(S)-N-hydroxy-2-((R)-1-phenylethylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24951952

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The IUPAC name of (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (CID 24806172) is (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.
What is the SMILES notation for (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The canonical SMILES for (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is Cc1ccc(Oc2ccc(N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The InChIKey is BMSDLUUZGPIUGG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)19(26(2,23)24)11-16(20)17(21)18-22/h3-10,16,20,22H,11H2,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide has a molecular weight of 380.42 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is sourced from PubChem (CID 24806172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).