2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide

C24H32F2N4O6S2 — CID 144574231

IUPAC2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide
SMILESCc1ccc(Oc2c(F)cc(S(=O)N(CCN(C)S(=O)CCN3CCOCC3)CC(=O)NO)cc2F)cc1
InChIInChI=1S/C24H32F2N4O6S2/c1-18-3-5-19(6-4-18)36-24-21(25)15-20(16-22(24)26)38(34)30(17-23(31)27-32)8-7-28(2)37(33)14-11-29-9-12-35-13-10-29/h3-6,15-16,32H,7-14,17H2,1-2H3,(H,27,31)
InChIKeyZXNGTRXQXHRSBG-UHFFFAOYSA-N
MW574.67 g/mol
LogP1.82
Rot. Bonds13

About 2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide

2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide (PubChem CID 144574231) has the molecular formula C24H32F2N4O6S2 and a molecular weight of 574.67 g/mol. Its IUPAC name is 2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide
PubChem CID144574231
Molecular FormulaC24H32F2N4O6S2
Molecular Weight574.67 g/mol
Exact Mass574.17
IUPAC Name2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide
SMILESCc1ccc(Oc2c(F)cc(S(=O)N(CCN(C)S(=O)CCN3CCOCC3)CC(=O)NO)cc2F)cc1
InChIInChI=1S/C24H32F2N4O6S2/c1-18-3-5-19(6-4-18)36-24-21(25)15-20(16-22(24)26)38(34)30(17-23(31)27-32)8-7-28(2)37(33)14-11-29-9-12-35-13-10-29/h3-6,15-16,32H,7-14,17H2,1-2H3,(H,27,31)
InChIKeyZXNGTRXQXHRSBG-UHFFFAOYSA-N
XLogP1.82
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.67
LogP ≤ 51.82
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

2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfinyl-[2-(dimethylamino)ethyl]amino]-N-hydroxyacetamide;ethane;2-pyrrolidin-1-ylethyl formate
CID 144574253
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 17247264
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24507691
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide
CID 3444758
2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-[2-[ethyl(methylsulfonyl)amino]ethyl]amino]-N-hydroxyacetamide
CID 123618506
(2R)-2-amino-N-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-6-morpholin-4-ylhexanamide
CID 87293460
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110638166

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide (CID 144574231) is 2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide is Cc1ccc(Oc2c(F)cc(S(=O)N(CCN(C)S(=O)CCN3CCOCC3)CC(=O)NO)cc2F)cc1.
What is the InChIKey of 2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide?
The InChIKey is ZXNGTRXQXHRSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N4O6S2/c1-18-3-5-19(6-4-18)36-24-21(25)15-20(16-22(24)26)38(34)30(17-23(31)27-32)8-7-28(2)37(33)14-11-29-9-12-35-13-10-29/h3-6,15-16,32H,7-14,17H2,1-2H3,(H,27,31).
What are the key properties of 2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide?
2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide has a molecular weight of 574.67 g/mol, XLogP of 1.82, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-difluoro-4-(4-methylphenoxy)phenyl]sulfinyl-[2-[methyl(2-morpholin-4-ylethylsulfinyl)amino]ethyl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 144574231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).