(4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one

C24H22N4O4S — CID 10322106

IUPAC(4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
SMILESNc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4C[C@@H](c5ccccc5)NC4=O)ccc32)cc1
InChIInChI=1S/C24H22N4O4S/c25-19-8-6-17(7-9-19)23(29)27-13-12-18-14-20(10-11-22(18)27)33(31,32)28-15-21(26-24(28)30)16-4-2-1-3-5-16/h1-11,14,21H,12-13,15,25H2,(H,26,30)/t21-/m0/s1
InChIKeyYZBUIQWOLSBWEX-NRFANRHFSA-N
MW462.53 g/mol
LogP2.93
Rot. Bonds4

About (4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one

(4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one (PubChem CID 10322106) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is (4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
PubChem CID10322106
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name(4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
SMILESNc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4C[C@@H](c5ccccc5)NC4=O)ccc32)cc1
InChIInChI=1S/C24H22N4O4S/c25-19-8-6-17(7-9-19)23(29)27-13-12-18-14-20(10-11-22(18)27)33(31,32)28-15-21(26-24(28)30)16-4-2-1-3-5-16/h1-11,14,21H,12-13,15,25H2,(H,26,30)/t21-/m0/s1
InChIKeyYZBUIQWOLSBWEX-NRFANRHFSA-N
XLogP2.93
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
(4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
CID 11453684
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
(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
N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 140997043
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-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide
CID 142664067
(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
4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one
CID 174322379

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one (CID 10322106) is (4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one is Nc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4C[C@@H](c5ccccc5)NC4=O)ccc32)cc1.
What is the InChIKey of (4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one?
The InChIKey is YZBUIQWOLSBWEX-NRFANRHFSA-N. The full InChI is InChI=1S/C24H22N4O4S/c25-19-8-6-17(7-9-19)23(29)27-13-12-18-14-20(10-11-22(18)27)33(31,32)28-15-21(26-24(28)30)16-4-2-1-3-5-16/h1-11,14,21H,12-13,15,25H2,(H,26,30)/t21-/m0/s1.
What are the key properties of (4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one?
(4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one has a molecular weight of 462.53 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 10322106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).