(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide

C19H20N2O5S — CID 41429174

IUPAC(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20N2O5S/c1-2-20-19(22)16-11-13-5-3-4-6-15(13)21(16)27(23,24)14-7-8-17-18(12-14)26-10-9-25-17/h3-8,12,16H,2,9-11H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyDLZDLNDBRHQZLL-MRXNPFEDSA-N
MW388.45 g/mol
LogP1.71
Rot. Bonds4

About (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide

(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide (PubChem CID 41429174) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide
PubChem CID41429174
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20N2O5S/c1-2-20-19(22)16-11-13-5-3-4-6-15(13)21(16)27(23,24)14-7-8-17-18(12-14)26-10-9-25-17/h3-8,12,16H,2,9-11H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyDLZDLNDBRHQZLL-MRXNPFEDSA-N
XLogP1.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2431660
(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 60606512
N'-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55455151
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 110602519
(2S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429154
(2S)-1-(4-tert-butylphenyl)sulfonyl-N-[(3-hydroxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 66846804
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 43008066
N-ethyl-2-methoxy-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 132656235
(3S)-N-(4-acetylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2604016
(2S)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]-2,3-dihydroindole-2-carboxylic acid
CID 66845811
(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide
CID 92710254

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide (CID 41429174) is (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide is CCNC(=O)[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is DLZDLNDBRHQZLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-2-20-19(22)16-11-13-5-3-4-6-15(13)21(16)27(23,24)14-7-8-17-18(12-14)26-10-9-25-17/h3-8,12,16H,2,9-11H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide?
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41429174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).