N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide

C20H23N3O5S — CID 98678385

IUPACN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H23N3O5S/c1-12-7-15-8-16(29(21,25)26)4-5-17(15)23(12)10-20(24)22-13(2)14-3-6-18-19(9-14)28-11-27-18/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,22,24)(H2,21,25,26)/t12-,13+/m0/s1
InChIKeyBHQZJMAXCOLGNR-QWHCGFSZSA-N
MW417.49 g/mol
LogP1.69
Rot. Bonds5

About N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide

N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide (PubChem CID 98678385) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
PubChem CID98678385
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H23N3O5S/c1-12-7-15-8-16(29(21,25)26)4-5-17(15)23(12)10-20(24)22-13(2)14-3-6-18-19(9-14)28-11-27-18/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,22,24)(H2,21,25,26)/t12-,13+/m0/s1
InChIKeyBHQZJMAXCOLGNR-QWHCGFSZSA-N
XLogP1.69
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 8686076
N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 98678027
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 34919205
N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 34918587
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7829073
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7829072
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]acetamide
CID 41194766
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8543601
N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 40939764
N-[1-(4-chlorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 42883636
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42946432

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide (CID 98678385) is N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide is C[C@@H](NC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is BHQZJMAXCOLGNR-QWHCGFSZSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-12-7-15-8-16(29(21,25)26)4-5-17(15)23(12)10-20(24)22-13(2)14-3-6-18-19(9-14)28-11-27-18/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,22,24)(H2,21,25,26)/t12-,13+/m0/s1.
What are the key properties of N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 98678385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).