1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C17H27N3O5S — CID 43035984

IUPAC1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOCCN(CCOC)CC(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C
InChIInChI=1S/C17H27N3O5S/c1-13-10-14-11-15(26(18,22)23)4-5-16(14)20(13)17(21)12-19(6-8-24-2)7-9-25-3/h4-5,11,13H,6-10,12H2,1-3H3,(H2,18,22,23)
InChIKeyBXFREJSKSAARHR-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.21
Rot. Bonds9

About 1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 43035984) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID43035984
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOCCN(CCOC)CC(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C
InChIInChI=1S/C17H27N3O5S/c1-13-10-14-11-15(26(18,22)23)4-5-16(14)20(13)17(21)12-19(6-8-24-2)7-9-25-3/h4-5,11,13H,6-10,12H2,1-3H3,(H2,18,22,23)
InChIKeyBXFREJSKSAARHR-UHFFFAOYSA-N
XLogP0.21
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 86893523
(2S)-1-[2-(N-ethyl-4-fluoroanilino)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 52686297
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425525
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 46644162
1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55498991
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705022
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 27349129
N-(3-methoxypropyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]methanesulfonamide
CID 113149574
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 55450124
2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 42926134
2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 42922246
1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42922267

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 43035984) is 1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is COCCN(CCOC)CC(=O)N1c2ccc(S(N)(=O)=O)cc2CC1C.
What is the InChIKey of 1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BXFREJSKSAARHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-13-10-14-11-15(26(18,22)23)4-5-16(14)20(13)17(21)12-19(6-8-24-2)7-9-25-3/h4-5,11,13H,6-10,12H2,1-3H3,(H2,18,22,23).
What are the key properties of 1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 0.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43035984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).