(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

C23H31N3O6S — CID 24954798

IUPAC(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(C[C@@H](C(=O)NO)N3C[C@@H](C)O[C@@H](C)C3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H31N3O6S/c1-16-5-9-20(10-6-16)32-21-11-7-19(8-12-21)26(33(4,29)30)15-22(23(27)24-28)25-13-17(2)31-18(3)14-25/h5-12,17-18,22,28H,13-15H2,1-4H3,(H,24,27)/t17-,18+,22-/m0/s1
InChIKeyQFDKCGXVQVJGKD-SVMVAKDDSA-N
MW477.58 g/mol
LogP2.54
Rot. Bonds8

About (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (PubChem CID 24954798) has the molecular formula C23H31N3O6S and a molecular weight of 477.58 g/mol. Its IUPAC name is (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
PubChem CID24954798
Molecular FormulaC23H31N3O6S
Molecular Weight477.58 g/mol
Exact Mass477.19
IUPAC Name(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCc1ccc(Oc2ccc(N(C[C@@H](C(=O)NO)N3C[C@@H](C)O[C@@H](C)C3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H31N3O6S/c1-16-5-9-20(10-6-16)32-21-11-7-19(8-12-21)26(33(4,29)30)15-22(23(27)24-28)25-13-17(2)31-18(3)14-25/h5-12,17-18,22,28H,13-15H2,1-4H3,(H,24,27)/t17-,18+,22-/m0/s1
InChIKeyQFDKCGXVQVJGKD-SVMVAKDDSA-N
XLogP2.54
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 52.54
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

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CID 24806175
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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)-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
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
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The IUPAC name of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (CID 24954798) is (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.
What is the SMILES notation for (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The canonical SMILES for (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is Cc1ccc(Oc2ccc(N(C[C@@H](C(=O)NO)N3C[C@@H](C)O[C@@H](C)C3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The InChIKey is QFDKCGXVQVJGKD-SVMVAKDDSA-N. The full InChI is InChI=1S/C23H31N3O6S/c1-16-5-9-20(10-6-16)32-21-11-7-19(8-12-21)26(33(4,29)30)15-22(23(27)24-28)25-13-17(2)31-18(3)14-25/h5-12,17-18,22,28H,13-15H2,1-4H3,(H,24,27)/t17-,18+,22-/m0/s1.
What are the key properties of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide has a molecular weight of 477.58 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is sourced from PubChem (CID 24954798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).