3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one

C25H22N4O4S — CID 21224945

IUPAC3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one
SMILESCC1Cc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc2N1C(=O)c1ccc(N)cc1
InChIInChI=1S/C25H22N4O4S/c1-16-13-19-14-21(11-12-23(19)29(16)24(30)18-7-9-20(26)10-8-18)34(32,33)28-15-22(27-25(28)31)17-5-3-2-4-6-17/h2-12,14-16H,13,26H2,1H3,(H,27,31)
InChIKeyMKSNIAYDFRVIPQ-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.25
Rot. Bonds4

About 3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one

3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one (PubChem CID 21224945) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one
PubChem CID21224945
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC Name3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one
SMILESCC1Cc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc2N1C(=O)c1ccc(N)cc1
InChIInChI=1S/C25H22N4O4S/c1-16-13-19-14-21(11-12-23(19)29(16)24(30)18-7-9-20(26)10-8-18)34(32,33)28-15-22(27-25(28)31)17-5-3-2-4-6-17/h2-12,14-16H,13,26H2,1H3,(H,27,31)
InChIKeyMKSNIAYDFRVIPQ-UHFFFAOYSA-N
XLogP3.25
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-methyl-1-(2,2,2-trifluoroacetyl)-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one
CID 142627111
ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate
CID 11732410
1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 132671580
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 43550159
1-[2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone
CID 20853150
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 1157344
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26910884
[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 55752569
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
CID 107999893

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one (CID 21224945) is 3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one is CC1Cc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc2N1C(=O)c1ccc(N)cc1.
What is the InChIKey of 3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one?
The InChIKey is MKSNIAYDFRVIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-16-13-19-14-21(11-12-23(19)29(16)24(30)18-7-9-20(26)10-8-18)34(32,33)28-15-22(27-25(28)31)17-5-3-2-4-6-17/h2-12,14-16H,13,26H2,1H3,(H,27,31).
What are the key properties of 3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one?
3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one has a molecular weight of 474.54 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 21224945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).