(2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide

C21H27N3O6S — CID 24806176

IUPAC(2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide
SMILESCc1ccc(Oc2ccc(N(C[C@@H](C(=O)NO)N3CCOCC3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H27N3O6S/c1-16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)24(31(2,27)28)15-20(21(25)22-26)23-11-13-29-14-12-23/h3-10,20,26H,11-15H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyVJUDEGHVGRIZAQ-FQEVSTJZSA-N
MW449.53 g/mol
LogP1.76
Rot. Bonds8

About (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide

(2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide (PubChem CID 24806176) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide
PubChem CID24806176
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name(2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide
SMILESCc1ccc(Oc2ccc(N(C[C@@H](C(=O)NO)N3CCOCC3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H27N3O6S/c1-16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)24(31(2,27)28)15-20(21(25)22-26)23-11-13-29-14-12-23/h3-10,20,26H,11-15H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyVJUDEGHVGRIZAQ-FQEVSTJZSA-N
XLogP1.76
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
N-[4-(4-Methanesulfonyl-piperazin-1-yl)-phenyl]-2-o-tolyloxy-acetamide
CID 655939
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
N-(4-Benzyloxy-phenyl)-3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-propionamide
CID 648849
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-N-(2-phenylethyl)methanesulfonamide
CID 1021970
(S)-N,2-dihydroxy-3-(N-(4-(p-tolyloxy)phenyl)methan-8-ylsulfonamido)propanamide
CID 24806172

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide (CID 24806176) is (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide is Cc1ccc(Oc2ccc(N(C[C@@H](C(=O)NO)N3CCOCC3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
The InChIKey is VJUDEGHVGRIZAQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)24(31(2,27)28)15-20(21(25)22-26)23-11-13-29-14-12-23/h3-10,20,26H,11-15H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide?
(2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide has a molecular weight of 449.53 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 24806176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).