2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide

C17H25NO2S — CID 103933570

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
SMILESCC(C)(O)C(C)(C)NC(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25NO2S/c1-16(2,17(3,4)20)18-15(19)11-21-14-9-8-12-6-5-7-13(12)10-14/h8-10,20H,5-7,11H2,1-4H3,(H,18,19)
InChIKeyGSZMPTJJHMXUEP-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.93
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide (PubChem CID 103933570) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
PubChem CID103933570
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
SMILESCC(C)(O)C(C)(C)NC(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25NO2S/c1-16(2,17(3,4)20)18-15(19)11-21-14-9-8-12-6-5-7-13(12)10-14/h8-10,20H,5-7,11H2,1-4H3,(H,18,19)
InChIKeyGSZMPTJJHMXUEP-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide with MolForge

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Related Compounds

N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]butanoic acid
CID 43388183
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357695
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517898
1-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81164289
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 104927939
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478875
4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide
CID 51192768
N-(1-acetylpiperidin-4-yl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 46657290

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide (CID 103933570) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide is CC(C)(O)C(C)(C)NC(=O)CSc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The InChIKey is GSZMPTJJHMXUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-16(2,17(3,4)20)18-15(19)11-21-14-9-8-12-6-5-7-13(12)10-14/h8-10,20H,5-7,11H2,1-4H3,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide has a molecular weight of 307.46 g/mol, XLogP of 2.93, 5 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-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide is sourced from PubChem (CID 103933570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).