N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C19H26N4O5S — CID 27890730

IUPACN-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)CN(C)C3=O)cc2)C1
InChIInChI=1S/C19H26N4O5S/c1-13-8-14(2)10-22(9-13)29(27,28)16-6-4-15(5-7-16)20-17(24)11-23-18(25)12-21(3)19(23)26/h4-7,13-14H,8-12H2,1-3H3,(H,20,24)/t13-,14-/m1/s1
InChIKeyZFBKXXGMBDGVLE-ZIAGYGMSSA-N
MW422.51 g/mol
LogP1.19
Rot. Bonds5

About N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 27890730) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID27890730
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC NameN-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)CN(C)C3=O)cc2)C1
InChIInChI=1S/C19H26N4O5S/c1-13-8-14(2)10-22(9-13)29(27,28)16-6-4-15(5-7-16)20-17(24)11-23-18(25)12-21(3)19(23)26/h4-7,13-14H,8-12H2,1-3H3,(H,20,24)/t13-,14-/m1/s1
InChIKeyZFBKXXGMBDGVLE-ZIAGYGMSSA-N
XLogP1.19
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 9188385
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide
CID 24501053
N-cyclopropyl-2-[4-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30627581
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9201016
2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958223
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 112779006
2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4278623
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406241
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 99847117
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 51648542
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 55427343
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-methoxyphenyl)acetamide
CID 7987505

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 27890730) is N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)CN(C)C3=O)cc2)C1.
What is the InChIKey of N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is ZFBKXXGMBDGVLE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-13-8-14(2)10-22(9-13)29(27,28)16-6-4-15(5-7-16)20-17(24)11-23-18(25)12-21(3)19(23)26/h4-7,13-14H,8-12H2,1-3H3,(H,20,24)/t13-,14-/m1/s1.
What are the key properties of N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 422.51 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 27890730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).