2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

C16H23NO2S — CID 111436249

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)CC1CCc2ccccc21
InChIInChI=1S/C16H23NO2S/c1-16(19,11-20-2)10-17-15(18)9-13-8-7-12-5-3-4-6-14(12)13/h3-6,13,19H,7-11H2,1-2H3,(H,17,18)
InChIKeyMKAYCRMCFPXUTK-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.34
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 111436249) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID111436249
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)CC1CCc2ccccc21
InChIInChI=1S/C16H23NO2S/c1-16(19,11-20-2)10-17-15(18)9-13-8-7-12-5-3-4-6-14(12)13/h3-6,13,19H,7-11H2,1-2H3,(H,17,18)
InChIKeyMKAYCRMCFPXUTK-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484467
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide
CID 111458418
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 110000645
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111442226
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 97109671
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111386383
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 86957177
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 97114693
2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol
CID 103784852
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (CID 111436249) is 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is CSCC(C)(O)CNC(=O)CC1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is MKAYCRMCFPXUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-16(19,11-20-2)10-17-15(18)9-13-8-7-12-5-3-4-6-14(12)13/h3-6,13,19H,7-11H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 293.43 g/mol, XLogP of 2.34, 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-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 111436249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).