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

C17H17NOS — CID 2673406

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H17NOS/c1-20-16-8-3-2-7-15(16)17(19)18-14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11H,4-6H2,1H3,(H,18,19)
InChIKeySUXAHTAROHSVTP-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.15
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide (PubChem CID 2673406) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide
PubChem CID2673406
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H17NOS/c1-20-16-8-3-2-7-15(16)17(19)18-14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11H,4-6H2,1H3,(H,18,19)
InChIKeySUXAHTAROHSVTP-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 668813
N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide
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Stk238931
CID 926198
N-[2-(methylsulfanyl)phenyl]benzamide
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N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
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N-(4-Methylphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
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N-[7-(acetylamino)-9-oxofluoren-2-yl]acetamide
CID 285260
(Z)-N-(4-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl)acetamide
CID 786578
N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide
CID 2673435
N-(1,3-dioxoisoindolin-5-yl)-2-(phenylthio)acetamide
CID 4606982
N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide
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CID 4134110

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide (CID 2673406) is N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide?
The InChIKey is SUXAHTAROHSVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-20-16-8-3-2-7-15(16)17(19)18-14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11H,4-6H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide has a molecular weight of 283.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 2673406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).