1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide

C22H27N3O3S — CID 46402686

IUPAC1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(C1CC1)N(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccccc1
InChIInChI=1S/C22H27N3O3S/c1-16(18-7-8-18)24(14-17-5-3-2-4-6-17)15-22(26)25-12-11-19-13-20(29(23,27)28)9-10-21(19)25/h2-6,9-10,13,16,18H,7-8,11-12,14-15H2,1H3,(H2,23,27,28)
InChIKeyJDENFMONUOEENZ-UHFFFAOYSA-N
MW413.54 g/mol
LogP2.52
Rot. Bonds7

About 1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 46402686) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID46402686
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(C1CC1)N(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccccc1
InChIInChI=1S/C22H27N3O3S/c1-16(18-7-8-18)24(14-17-5-3-2-4-6-17)15-22(26)25-12-11-19-13-20(29(23,27)28)9-10-21(19)25/h2-6,9-10,13,16,18H,7-8,11-12,14-15H2,1H3,(H2,23,27,28)
InChIKeyJDENFMONUOEENZ-UHFFFAOYSA-N
XLogP2.52
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 60617010
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16576253
4-[5-[benzyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 6619736
2-[1-cyclopropylethyl(methyl)amino]-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 75402610
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55864125
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55934456
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 46402686) is 1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide is CC(C1CC1)N(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccccc1.
What is the InChIKey of 1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is JDENFMONUOEENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-16(18-7-8-18)24(14-17-5-3-2-4-6-17)15-22(26)25-12-11-19-13-20(29(23,27)28)9-10-21(19)25/h2-6,9-10,13,16,18H,7-8,11-12,14-15H2,1H3,(H2,23,27,28).
What are the key properties of 1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 413.54 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 46402686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).