4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one

C28H24F3N3O4S — CID 174322379

IUPAC4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one
SMILESC=CC(c1ccc2c(c1)CCN2C(=O)c1cccc(C(F)(F)F)c1)S(=O)(=O)N1CC(c2ccccc2)NC1=O
InChIInChI=1S/C28H24F3N3O4S/c1-2-25(39(37,38)34-17-23(32-27(34)36)18-7-4-3-5-8-18)20-11-12-24-19(15-20)13-14-33(24)26(35)21-9-6-10-22(16-21)28(29,30)31/h2-12,15-16,23,25H,1,13-14,17H2,(H,32,36)
InChIKeyOFCHUPZFPVHBBT-UHFFFAOYSA-N
MW555.58 g/mol
LogP5.23
Rot. Bonds6

About 4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one

4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one (PubChem CID 174322379) has the molecular formula C28H24F3N3O4S and a molecular weight of 555.58 g/mol. Its IUPAC name is 4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one
PubChem CID174322379
Molecular FormulaC28H24F3N3O4S
Molecular Weight555.58 g/mol
Exact Mass555.14
IUPAC Name4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one
SMILESC=CC(c1ccc2c(c1)CCN2C(=O)c1cccc(C(F)(F)F)c1)S(=O)(=O)N1CC(c2ccccc2)NC1=O
InChIInChI=1S/C28H24F3N3O4S/c1-2-25(39(37,38)34-17-23(32-27(34)36)18-7-4-3-5-8-18)20-11-12-24-19(15-20)13-14-33(24)26(35)21-9-6-10-22(16-21)28(29,30)31/h2-12,15-16,23,25H,1,13-14,17H2,(H,32,36)
InChIKeyOFCHUPZFPVHBBT-UHFFFAOYSA-N
XLogP5.23
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.58
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
CID 21224949
1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
CID 21224887
(4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
CID 10322106
(4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
CID 11453684
(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
N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 140997043
2-amino-N-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]-3-phenylpropanamide
CID 21311000
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
(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
1-benzoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247827
4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide
CID 159659623
[1-(1-acetyl-2,3-dihydroindol-5-yl)prop-2-enylsulfonyl-[5-(trifluoromethyl)-1H-indol-2-yl]methyl] propanoate
CID 174546627

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one?
The IUPAC name of 4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one (CID 174322379) is 4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one.
What is the SMILES notation for 4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one?
The canonical SMILES for 4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one is C=CC(c1ccc2c(c1)CCN2C(=O)c1cccc(C(F)(F)F)c1)S(=O)(=O)N1CC(c2ccccc2)NC1=O.
What is the InChIKey of 4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one?
The InChIKey is OFCHUPZFPVHBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O4S/c1-2-25(39(37,38)34-17-23(32-27(34)36)18-7-4-3-5-8-18)20-11-12-24-19(15-20)13-14-33(24)26(35)21-9-6-10-22(16-21)28(29,30)31/h2-12,15-16,23,25H,1,13-14,17H2,(H,32,36).
What are the key properties of 4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one?
4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one has a molecular weight of 555.58 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one is sourced from PubChem (CID 174322379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).