5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide

C20H23N3O5S — CID 53059032

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
SMILESCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C20H23N3O5S/c1-2-8-21-20(24)23-9-7-14-12-16(4-5-17(14)23)29(25,26)22-15-3-6-18-19(13-15)28-11-10-27-18/h3-6,12-13,22H,2,7-11H2,1H3,(H,21,24)
InChIKeyLBDDBKNRQZXATC-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.74
Rot. Bonds5

About 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide (PubChem CID 53059032) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
PubChem CID53059032
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
SMILESCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C20H23N3O5S/c1-2-8-21-20(24)23-9-7-14-12-16(4-5-17(14)23)29(25,26)22-15-3-6-18-19(13-15)28-11-10-27-18/h3-6,12-13,22H,2,7-11H2,1H3,(H,21,24)
InChIKeyLBDDBKNRQZXATC-UHFFFAOYSA-N
XLogP2.74
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059050
5-[(4-acetylphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53058961
5-[(4-methoxyphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53058967
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388536
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-[4-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41119310
N-[4-[[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41119311
N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110729382
1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide
CID 46970401
5-[(2,6-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058911

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide (CID 53059032) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide is CCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is LBDDBKNRQZXATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-2-8-21-20(24)23-9-7-14-12-16(4-5-17(14)23)29(25,26)22-15-3-6-18-19(13-15)28-11-10-27-18/h3-6,12-13,22H,2,7-11H2,1H3,(H,21,24).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 53059032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).