N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide

C22H28N2O3S — CID 20649322

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C22H28N2O3S/c1-15(2)12-13-23-28(26,27)18-10-8-16(3)20(14-18)22(25)24-21-11-9-17-6-4-5-7-19(17)21/h4-8,10,14-15,21,23H,9,11-13H2,1-3H3,(H,24,25)
InChIKeyQXQIWDBYYDCWAH-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.74
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide

N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide (PubChem CID 20649322) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide
PubChem CID20649322
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C22H28N2O3S/c1-15(2)12-13-23-28(26,27)18-10-8-16(3)20(14-18)22(25)24-21-11-9-17-6-4-5-7-19(17)21/h4-8,10,14-15,21,23H,9,11-13H2,1-3H3,(H,24,25)
InChIKeyQXQIWDBYYDCWAH-UHFFFAOYSA-N
XLogP3.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(2,3-dihydro-1H-inden-1-yl)-5-(3-methylbutylsulfamoyl)-3-nitrobenzamide
CID 20649235
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2468063
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
2-methyl-5-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2361857
N-cyclohexyl-2-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 3877568
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
N-(2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 17444395
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873518
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-methyl-5-sulfamoylbenzoate
CID 42902645
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 24560482
N-(2,3-dihydro-1H-inden-1-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297408
5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide
CID 31284339

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide (CID 20649322) is N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide is Cc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide?
The InChIKey is QXQIWDBYYDCWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-15(2)12-13-23-28(26,27)18-10-8-16(3)20(14-18)22(25)24-21-11-9-17-6-4-5-7-19(17)21/h4-8,10,14-15,21,23H,9,11-13H2,1-3H3,(H,24,25).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide has a molecular weight of 400.54 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-methyl-5-(3-methylbutylsulfamoyl)benzamide is sourced from PubChem (CID 20649322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).