2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide

C18H19NOS — CID 55358221

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H19NOS/c1-21-17-8-3-2-7-16(17)19-18(20)12-13-9-10-14-5-4-6-15(14)11-13/h2-3,7-11H,4-6,12H2,1H3,(H,19,20)
InChIKeySSJBDFOZKHRUHA-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.08
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 55358221) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID55358221
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H19NOS/c1-21-17-8-3-2-7-16(17)19-18(20)12-13-9-10-14-5-4-6-15(14)11-13/h2-3,7-11H,4-6,12H2,1H3,(H,19,20)
InChIKeySSJBDFOZKHRUHA-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
N-(2-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 34749475
N-(5-amino-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 120568967
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55358736
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16556750
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide
CID 110774336
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 24635858
3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 51303066

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide (CID 55358221) is 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is SSJBDFOZKHRUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-21-17-8-3-2-7-16(17)19-18(20)12-13-9-10-14-5-4-6-15(14)11-13/h2-3,7-11H,4-6,12H2,1H3,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 297.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 55358221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).