1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide

C21H25F2N3O5S — CID 55628044

IUPAC1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCOc1cc(CN(C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)ccc1OC(F)F
InChIInChI=1S/C21H25F2N3O5S/c1-3-30-19-10-14(4-7-18(19)31-21(22)23)12-25(2)13-20(27)26-9-8-15-11-16(32(24,28)29)5-6-17(15)26/h4-7,10-11,21H,3,8-9,12-13H2,1-2H3,(H2,24,28,29)
InChIKeyDBGQWZFHARQXMT-UHFFFAOYSA-N
MW469.51 g/mol
LogP2.36
Rot. Bonds9

About 1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55628044) has the molecular formula C21H25F2N3O5S and a molecular weight of 469.51 g/mol. Its IUPAC name is 1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55628044
Molecular FormulaC21H25F2N3O5S
Molecular Weight469.51 g/mol
Exact Mass469.15
IUPAC Name1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCOc1cc(CN(C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)ccc1OC(F)F
InChIInChI=1S/C21H25F2N3O5S/c1-3-30-19-10-14(4-7-18(19)31-21(22)23)12-25(2)13-20(27)26-9-8-15-11-16(32(24,28)29)5-6-17(15)26/h4-7,10-11,21H,3,8-9,12-13H2,1-2H3,(H2,24,28,29)
InChIKeyDBGQWZFHARQXMT-UHFFFAOYSA-N
XLogP2.36
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16618560
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 17414801
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 46406134
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55864125
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 55628161
N-(tert-butylcarbamoyl)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetamide
CID 46405970
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
CID 51080580
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 55612264

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 55628044) is 1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide is CCOc1cc(CN(C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)ccc1OC(F)F.
What is the InChIKey of 1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DBGQWZFHARQXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O5S/c1-3-30-19-10-14(4-7-18(19)31-21(22)23)12-25(2)13-20(27)26-9-8-15-11-16(32(24,28)29)5-6-17(15)26/h4-7,10-11,21H,3,8-9,12-13H2,1-2H3,(H2,24,28,29).
What are the key properties of 1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 469.51 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55628044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).