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

C20H24ClN3O6S — CID 24954070

IUPAC(2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide
SMILESCS(=O)(=O)N(C[C@@H](C(=O)NO)N1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClN3O6S/c1-31(27,28)24(14-19(20(25)22-26)23-10-12-29-13-11-23)16-4-8-18(9-5-16)30-17-6-2-15(21)3-7-17/h2-9,19,26H,10-14H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyPYBCEKGPALJXJE-IBGZPJMESA-N
MW469.95 g/mol
LogP2.10
Rot. Bonds8

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

(2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide (PubChem CID 24954070) has the molecular formula C20H24ClN3O6S and a molecular weight of 469.95 g/mol. Its IUPAC name is (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide
PubChem CID24954070
Molecular FormulaC20H24ClN3O6S
Molecular Weight469.95 g/mol
Exact Mass469.11
IUPAC Name(2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide
SMILESCS(=O)(=O)N(C[C@@H](C(=O)NO)N1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClN3O6S/c1-31(27,28)24(14-19(20(25)22-26)23-10-12-29-13-11-23)16-4-8-18(9-5-16)30-17-6-2-15(21)3-7-17/h2-9,19,26H,10-14H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyPYBCEKGPALJXJE-IBGZPJMESA-N
XLogP2.10
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 52.10
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)-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
3-{4-[(5-chloro-2-methoxyphenyl)sulfonyl]piperazin-1-yl}-N-(4-ethoxyphenyl)propanamide
CID 3238060
(S)-N-hydroxy-2-morpholino-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24806176
(S)-2-(3-chlorophenylamino)-N-hydroxy-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24951950
(S)-2-(4-(4-chlorophenyl)piperazin-1-yl)-N-hydroxy-3-(N-(4-(4-(trifluoromethyl)phenoxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24953381
(S)-2-(cis-2,6-dimethylmorpholino)-N-hydroxy-3-(N-(4-(4-(trifluoromethyl)phenoxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24954068
(S)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-15-ylsulfonamido)-N,2-dihydroxypropanamide
CID 24955511
(S)-N-hydroxy-2-morpholino-3-(N-(4-(4-(trifluoromethyl)phenoxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24955858
(R)-N-hydroxy-2-morpholino-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24957161
N-(4-(2-(4-(3,4-Dichlorophenyl)piperazin-1-yl)-2-oxoethoxy)phenyl)methanesulfonamide
CID 46227094
Cambridge id 6746060
CID 2912764

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide (CID 24954070) is (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide is CS(=O)(=O)N(C[C@@H](C(=O)NO)N1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide?
The InChIKey is PYBCEKGPALJXJE-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24ClN3O6S/c1-31(27,28)24(14-19(20(25)22-26)23-10-12-29-13-11-23)16-4-8-18(9-5-16)30-17-6-2-15(21)3-7-17/h2-9,19,26H,10-14H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide?
(2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide has a molecular weight of 469.95 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N-hydroxy-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 24954070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).