N,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

C21H24N4O7S — CID 18459326

IUPACN,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCN1C(=O)N(CC(O)(CS(=O)(=O)c2ccc(-c3ccncc3)cc2)C(=O)NO)C(=O)C1(C)C
InChIInChI=1S/C21H24N4O7S/c1-20(2)18(27)25(19(28)24(20)3)12-21(29,17(26)23-30)13-33(31,32)16-6-4-14(5-7-16)15-8-10-22-11-9-15/h4-11,29-30H,12-13H2,1-3H3,(H,23,26)
InChIKeyASIQWNJHKYBDIE-UHFFFAOYSA-N
MW476.51 g/mol
LogP0.43
Rot. Bonds7

About N,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

N,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 18459326) has the molecular formula C21H24N4O7S and a molecular weight of 476.51 g/mol. Its IUPAC name is N,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID18459326
Molecular FormulaC21H24N4O7S
Molecular Weight476.51 g/mol
Exact Mass476.14
IUPAC NameN,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCN1C(=O)N(CC(O)(CS(=O)(=O)c2ccc(-c3ccncc3)cc2)C(=O)NO)C(=O)C1(C)C
InChIInChI=1S/C21H24N4O7S/c1-20(2)18(27)25(19(28)24(20)3)12-21(29,17(26)23-30)13-33(31,32)16-6-4-14(5-7-16)15-8-10-22-11-9-15/h4-11,29-30H,12-13H2,1-3H3,(H,23,26)
InChIKeyASIQWNJHKYBDIE-UHFFFAOYSA-N
XLogP0.43
TPSA157.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 50.43
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-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 18459326) is N,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is CN1C(=O)N(CC(O)(CS(=O)(=O)c2ccc(-c3ccncc3)cc2)C(=O)NO)C(=O)C1(C)C.
What is the InChIKey of N,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is ASIQWNJHKYBDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O7S/c1-20(2)18(27)25(19(28)24(20)3)12-21(29,17(26)23-30)13-33(31,32)16-6-4-14(5-7-16)15-8-10-22-11-9-15/h4-11,29-30H,12-13H2,1-3H3,(H,23,26).
What are the key properties of N,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N,2-dihydroxy-2-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 476.51 g/mol, XLogP of 0.43, 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-[(4-pyridin-4-ylphenyl)sulfonylmethyl]-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 18459326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).