(4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one

C23H20N4O4S — CID 11453684

IUPAC(4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
SMILESO=C(c1ccncc1)N1CCc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)NC3=O)ccc21
InChIInChI=1S/C23H20N4O4S/c28-22(17-8-11-24-12-9-17)26-13-10-18-14-19(6-7-21(18)26)32(30,31)27-15-20(25-23(27)29)16-4-2-1-3-5-16/h1-9,11-12,14,20H,10,13,15H2,(H,25,29)/t20-/m0/s1
InChIKeyNULLMYNWZQLJGN-FQEVSTJZSA-N
MW448.50 g/mol
LogP2.74
Rot. Bonds4

About (4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one

(4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one (PubChem CID 11453684) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is (4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
PubChem CID11453684
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name(4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
SMILESO=C(c1ccncc1)N1CCc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)NC3=O)ccc21
InChIInChI=1S/C23H20N4O4S/c28-22(17-8-11-24-12-9-17)26-13-10-18-14-19(6-7-21(18)26)32(30,31)27-15-20(25-23(27)29)16-4-2-1-3-5-16/h1-9,11-12,14,20H,10,13,15H2,(H,25,29)/t20-/m0/s1
InChIKeyNULLMYNWZQLJGN-FQEVSTJZSA-N
XLogP2.74
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one with MolForge

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Related Compounds

(4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
CID 10322106
(4S)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one;[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]azanium;chloride
CID 139057948
1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
CID 21224887
4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
CID 21224949
2-amino-N-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]-3-phenylpropanamide
CID 21311000
N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 140997043
(2S)-2-amino-4-methylsulfanyl-N-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]butanamide
CID 86289001
tert-butyl N-[1-oxo-1-[4-[5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carbonyl]anilino]propan-2-yl]carbamate
CID 21224927
propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 53376888
4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one
CID 174322379
(4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[1-[3,5-dimethyl-2-[2-methyl-4-oxo-4-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]anilino]butan-2-yl]phenoxy]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 46233896
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one?
The IUPAC name of (4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one (CID 11453684) is (4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one?
The canonical SMILES for (4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one is O=C(c1ccncc1)N1CCc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)NC3=O)ccc21.
What is the InChIKey of (4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one?
The InChIKey is NULLMYNWZQLJGN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20N4O4S/c28-22(17-8-11-24-12-9-17)26-13-10-18-14-19(6-7-21(18)26)32(30,31)27-15-20(25-23(27)29)16-4-2-1-3-5-16/h1-9,11-12,14,20H,10,13,15H2,(H,25,29)/t20-/m0/s1.
What are the key properties of (4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one?
(4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one has a molecular weight of 448.50 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one is sourced from PubChem (CID 11453684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).