5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride

C22H25ClN4O4S — CID 21224889

IUPAC5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride
SMILESCC(C)NCC(=O)N1CCc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc21.Cl
InChIInChI=1S/C22H24N4O4S.ClH/c1-15(2)23-13-21(27)25-11-10-17-12-18(8-9-20(17)25)31(29,30)26-14-19(24-22(26)28)16-6-4-3-5-7-16;/h3-9,12,14-15,23H,10-11,13H2,1-2H3,(H,24,28);1H
InChIKeyULUUOXWBFSHSDO-UHFFFAOYSA-N
MW476.99 g/mol
LogP2.39
Rot. Bonds6

About 5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride

5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride (PubChem CID 21224889) has the molecular formula C22H25ClN4O4S and a molecular weight of 476.99 g/mol. Its IUPAC name is 5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride
PubChem CID21224889
Molecular FormulaC22H25ClN4O4S
Molecular Weight476.99 g/mol
Exact Mass476.13
IUPAC Name5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride
SMILESCC(C)NCC(=O)N1CCc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc21.Cl
InChIInChI=1S/C22H24N4O4S.ClH/c1-15(2)23-13-21(27)25-11-10-17-12-18(8-9-20(17)25)31(29,30)26-14-19(24-22(26)28)16-6-4-3-5-7-16;/h3-9,12,14-15,23H,10-11,13H2,1-2H3,(H,24,28);1H
InChIKeyULUUOXWBFSHSDO-UHFFFAOYSA-N
XLogP2.39
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
CID 21224933
ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate
CID 11732410
3-[[2-methyl-1-(2,2,2-trifluoroacetyl)-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one
CID 142627111
3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one
CID 21224945
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
CID 55448774
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 55438375
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(2-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53057581
N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55538783
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride?
The IUPAC name of 5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride (CID 21224889) is 5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride.
What is the SMILES notation for 5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride?
The canonical SMILES for 5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride is CC(C)NCC(=O)N1CCc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc21.Cl.
What is the InChIKey of 5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride?
The InChIKey is ULUUOXWBFSHSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S.ClH/c1-15(2)23-13-21(27)25-11-10-17-12-18(8-9-20(17)25)31(29,30)26-14-19(24-22(26)28)16-6-4-3-5-7-16;/h3-9,12,14-15,23H,10-11,13H2,1-2H3,(H,24,28);1H.
What are the key properties of 5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride?
5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride has a molecular weight of 476.99 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride is sourced from PubChem (CID 21224889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).