N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide

C23H27FN4O7S — CID 144574208

IUPACN-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide
SMILESC=CN(CCN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C23H27FN4O7S/c1-2-26(23(30)27-13-15-34-16-14-27)11-12-28(17-22(29)25-31)36(32,33)21-9-7-20(8-10-21)35-19-5-3-18(24)4-6-19/h2-10,31H,1,11-17H2,(H,25,29)
InChIKeyPOUXGIYEHFCICL-UHFFFAOYSA-N
MW522.56 g/mol
LogP2.01
Rot. Bonds10

About N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide

N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide (PubChem CID 144574208) has the molecular formula C23H27FN4O7S and a molecular weight of 522.56 g/mol. Its IUPAC name is N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide
PubChem CID144574208
Molecular FormulaC23H27FN4O7S
Molecular Weight522.56 g/mol
Exact Mass522.16
IUPAC NameN-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide
SMILESC=CN(CCN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C23H27FN4O7S/c1-2-26(23(30)27-13-15-34-16-14-27)11-12-28(17-22(29)25-31)36(32,33)21-9-7-20(8-10-21)35-19-5-3-18(24)4-6-19/h2-10,31H,1,11-17H2,(H,25,29)
InChIKeyPOUXGIYEHFCICL-UHFFFAOYSA-N
XLogP2.01
TPSA128.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.56
LogP ≤ 52.01
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

N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 142260133
2-[(4-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxyacetamide
CID 100984436
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874406
4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
CID 32627981
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 60627428
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 45372972
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 1486407
benzyl 4-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidine-1-carboxylate
CID 21224284
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519754
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 18133694
2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid
CID 56694556
2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4832930

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide (CID 144574208) is N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide is C=CN(CCN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N1CCOCC1.
What is the InChIKey of N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide?
The InChIKey is POUXGIYEHFCICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O7S/c1-2-26(23(30)27-13-15-34-16-14-27)11-12-28(17-22(29)25-31)36(32,33)21-9-7-20(8-10-21)35-19-5-3-18(24)4-6-19/h2-10,31H,1,11-17H2,(H,25,29).
What are the key properties of N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide?
N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide has a molecular weight of 522.56 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[2-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 144574208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).