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

C19H24N2O6S — CID 24806173

IUPAC(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](O)C(=O)NO)S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O6S/c1-13(2)28(25,26)21(12-18(22)19(23)20-24)15-6-10-17(11-7-15)27-16-8-4-14(3)5-9-16/h4-11,13,18,22,24H,12H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyBEGMRZSKEXZQQD-SFHVURJKSA-N
MW408.48 g/mol
LogP2.20
Rot. Bonds8

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

(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide (PubChem CID 24806173) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide.

Molecular Properties

Compound Name(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide
PubChem CID24806173
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](O)C(=O)NO)S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O6S/c1-13(2)28(25,26)21(12-18(22)19(23)20-24)15-6-10-17(11-7-15)27-16-8-4-14(3)5-9-16/h4-11,13,18,22,24H,12H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyBEGMRZSKEXZQQD-SFHVURJKSA-N
XLogP2.20
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.20
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)-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
(S)-N,2-dihydroxy-3-(N-(4-(p-tolyloxy)phenyl)methan-8-ylsulfonamido)propanamide
CID 24806172
(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
(S)-N,2-dihydroxy-3-(N-(4-(4-(trifluoromethyl)phenoxy)phenyl)methan-15-ylsulfonamido)propanamide
CID 24952674
(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)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide?
The IUPAC name of (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide (CID 24806173) is (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide.
What is the SMILES notation for (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide?
The canonical SMILES for (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide is Cc1ccc(Oc2ccc(N(C[C@H](O)C(=O)NO)S(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide?
The InChIKey is BEGMRZSKEXZQQD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-13(2)28(25,26)21(12-18(22)19(23)20-24)15-6-10-17(11-7-15)27-16-8-4-14(3)5-9-16/h4-11,13,18,22,24H,12H2,1-3H3,(H,20,23)/t18-/m0/s1.
What are the key properties of (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide?
(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide has a molecular weight of 408.48 g/mol, XLogP of 2.20, 8 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-propan-2-ylsulfonylanilino]propanamide is sourced from PubChem (CID 24806173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).