2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide

C15H22N2O3S — CID 91836315

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O3S/c1-17(2)21(19,20)8-7-16-15(18)11-12-9-13-5-3-4-6-14(13)10-12/h3-6,12H,7-11H2,1-2H3,(H,16,18)
InChIKeyTYTYIBOYHXARQY-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.80
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide

2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide (PubChem CID 91836315) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
PubChem CID91836315
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O3S/c1-17(2)21(19,20)8-7-16-15(18)11-12-9-13-5-3-4-6-14(13)10-12/h3-6,12H,7-11H2,1-2H3,(H,16,18)
InChIKeyTYTYIBOYHXARQY-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 125481439
N-[2-(dimethylsulfamoyl)ethyl]-2-piperidin-3-ylacetamide
CID 106337529
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333044
1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea
CID 106335754
2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333131
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126
N-[2-(dimethylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106337483
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
CID 124749478
(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 99929803
(2R)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337291
N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide
CID 75407157

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide (CID 91836315) is 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide is CN(C)S(=O)(=O)CCNC(=O)CC1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The InChIKey is TYTYIBOYHXARQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(2)21(19,20)8-7-16-15(18)11-12-9-13-5-3-4-6-14(13)10-12/h3-6,12H,7-11H2,1-2H3,(H,16,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide is sourced from PubChem (CID 91836315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).