2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide

C19H22N2O3S — CID 34640391

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H22N2O3S/c1-20-25(23,24)18-7-2-4-15(11-18)13-21-19(22)12-14-8-9-16-5-3-6-17(16)10-14/h2,4,7-11,20H,3,5-6,12-13H2,1H3,(H,21,22)
InChIKeyFTCNYTUTKRYNCF-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.94
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 34640391) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
PubChem CID34640391
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H22N2O3S/c1-20-25(23,24)18-7-2-4-15(11-18)13-21-19(22)12-14-8-9-16-5-3-6-17(16)10-14/h2,4,7-11,20H,3,5-6,12-13H2,1H3,(H,21,22)
InChIKeyFTCNYTUTKRYNCF-UHFFFAOYSA-N
XLogP1.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 17419772
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
CID 82495806
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 34685373
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 55884476
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide
CID 115167829
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 34640507
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55713643
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238
(2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 34687941
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 46466722

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide (CID 34640391) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide is CNS(=O)(=O)c1cccc(CNC(=O)Cc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is FTCNYTUTKRYNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-20-25(23,24)18-7-2-4-15(11-18)13-21-19(22)12-14-8-9-16-5-3-6-17(16)10-14/h2,4,7-11,20H,3,5-6,12-13H2,1H3,(H,21,22).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 34640391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).