N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide

C19H20N4O7S — CID 18459288

IUPACN,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide
SMILESCN1CC(=O)N(CC(O)(CS(=O)(=O)c2ccc(-c3ccncc3)cc2)C(=O)NO)C1=O
InChIInChI=1S/C19H20N4O7S/c1-22-10-16(24)23(18(22)26)11-19(27,17(25)21-28)12-31(29,30)15-4-2-13(3-5-15)14-6-8-20-9-7-14/h2-9,27-28H,10-12H2,1H3,(H,21,25)
InChIKeyBYFMKHJXCGOXPP-UHFFFAOYSA-N
MW448.46 g/mol
LogP-0.35
Rot. Bonds7

About N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide

N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide (PubChem CID 18459288) has the molecular formula C19H20N4O7S and a molecular weight of 448.46 g/mol. Its IUPAC name is N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide
PubChem CID18459288
Molecular FormulaC19H20N4O7S
Molecular Weight448.46 g/mol
Exact Mass448.11
IUPAC NameN,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide
SMILESCN1CC(=O)N(CC(O)(CS(=O)(=O)c2ccc(-c3ccncc3)cc2)C(=O)NO)C1=O
InChIInChI=1S/C19H20N4O7S/c1-22-10-16(24)23(18(22)26)11-19(27,17(25)21-28)12-31(29,30)15-4-2-13(3-5-15)14-6-8-20-9-7-14/h2-9,27-28H,10-12H2,1H3,(H,21,25)
InChIKeyBYFMKHJXCGOXPP-UHFFFAOYSA-N
XLogP-0.35
TPSA157.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide?
The IUPAC name of N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide (CID 18459288) is N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide.
What is the SMILES notation for N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide?
The canonical SMILES for N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide is CN1CC(=O)N(CC(O)(CS(=O)(=O)c2ccc(-c3ccncc3)cc2)C(=O)NO)C1=O.
What is the InChIKey of N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide?
The InChIKey is BYFMKHJXCGOXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O7S/c1-22-10-16(24)23(18(22)26)11-19(27,17(25)21-28)12-31(29,30)15-4-2-13(3-5-15)14-6-8-20-9-7-14/h2-9,27-28H,10-12H2,1H3,(H,21,25).
What are the key properties of N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide?
N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide has a molecular weight of 448.46 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-(4-pyridin-4-ylphenyl)sulfonylpropanamide is sourced from PubChem (CID 18459288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).