N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide

C22H22N4O5S — CID 11048709

IUPACN-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
SMILESCC1(C)NC(=O)N(CC(CSc2ccc(Oc3ccc(C#N)cc3)cc2)N(O)C=O)C1=O
InChIInChI=1S/C22H22N4O5S/c1-22(2)20(28)25(21(29)24-22)12-16(26(30)14-27)13-32-19-9-7-18(8-10-19)31-17-5-3-15(11-23)4-6-17/h3-10,14,16,30H,12-13H2,1-2H3,(H,24,29)
InChIKeyMZYYMWKXXWULON-UHFFFAOYSA-N
MW454.51 g/mol
LogP2.99
Rot. Bonds9

About N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide

N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide (PubChem CID 11048709) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
PubChem CID11048709
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC NameN-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
SMILESCC1(C)NC(=O)N(CC(CSc2ccc(Oc3ccc(C#N)cc3)cc2)N(O)C=O)C1=O
InChIInChI=1S/C22H22N4O5S/c1-22(2)20(28)25(21(29)24-22)12-16(26(30)14-27)13-32-19-9-7-18(8-10-19)31-17-5-3-15(11-23)4-6-17/h3-10,14,16,30H,12-13H2,1-2H3,(H,24,29)
InChIKeyMZYYMWKXXWULON-UHFFFAOYSA-N
XLogP2.99
TPSA122.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(hydroxyamino)propyl]sulfanylphenoxy]benzonitrile
CID 10982823
N-[(2S)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-methoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide
CID 10137341
N-[1-[4-(4-cyanophenyl)phenoxy]-3-(3-ethyl-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
CID 10253223
3-[2-(hydroxyamino)-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfanylpropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 11812900
4-[3-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-2-hydroxypropoxy]benzonitrile
CID 18086925
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
4-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 18086907
4-[3-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]benzonitrile
CID 55410147
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 91772381
4-[(2R)-3-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]-2-hydroxypropoxy]benzonitrile
CID 31574507
3-[2-(4-hydroxyphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47298341
4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylbenzonitrile
CID 114481321

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
The IUPAC name of N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide (CID 11048709) is N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide.
What is the SMILES notation for N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
The canonical SMILES for N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide is CC1(C)NC(=O)N(CC(CSc2ccc(Oc3ccc(C#N)cc3)cc2)N(O)C=O)C1=O.
What is the InChIKey of N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
The InChIKey is MZYYMWKXXWULON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c1-22(2)20(28)25(21(29)24-22)12-16(26(30)14-27)13-32-19-9-7-18(8-10-19)31-17-5-3-15(11-23)4-6-17/h3-10,14,16,30H,12-13H2,1-2H3,(H,24,29).
What are the key properties of N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide?
N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide has a molecular weight of 454.51 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-cyanophenoxy)phenyl]sulfanyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide is sourced from PubChem (CID 11048709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).