N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide

C21H26N2OS — CID 23723708

IUPACN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C21H26N2OS/c1-23(14-17-8-4-3-5-9-17)21(16-22-20(24)15-25-2)12-18-10-6-7-11-19(18)13-21/h3-11H,12-16H2,1-2H3,(H,22,24)
InChIKeyJRQPCAZWPARWRC-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.14
Rot. Bonds7

About N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide

N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide (PubChem CID 23723708) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide
PubChem CID23723708
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C21H26N2OS/c1-23(14-17-8-4-3-5-9-17)21(16-22-20(24)15-25-2)12-18-10-6-7-11-19(18)13-21/h3-11H,12-16H2,1-2H3,(H,22,24)
InChIKeyJRQPCAZWPARWRC-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(methylthio)acetamide
CID 23723347
N-({2-[benzyl(methyl)amino]-2,3-dihydro-1H-inden-2-yl}methyl)-4,4,4-trifluorobutanamide
CID 23723919
9-Acetylaminofluorene
CID 224044
Acetamide, 2-(diethylamino)-N-(9-fluorenyl)-, hydrochloride
CID 3055371
2-(Diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)ethanimidic acid--hydrogen chloride (1/1)
CID 3055376
N-({2-[benzyl(methyl)amino]-2,3-dihydro-1H-inden-2-yl}methyl)-2-butynamide
CID 23723445
N~3~-acetyl-N~1~-({2-[benzyl(methyl)amino]-2,3-dihydro-1H-inden-2-yl}methyl)-beta-alaninamide
CID 23723749
1-Indanamine, N-(2-diethylaminoacetyl)-2-phenyl-, hydrochloride
CID 115645
4-(Diethylamino)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)butanimidic acid--hydrogen chloride (1/1)
CID 115647
1-Indanamine, N-(2-diethylaminopropionyl)-2-phenyl-, hydrochloride
CID 115649
1-Indanamine, N-(2-dimethylaminoacetyl)-2-phenyl-
CID 115653
1-Indanamine, N-(2-dimethylaminobutyryl)-2-phenyl-
CID 115654

Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide (CID 23723708) is N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide is CSCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide?
The InChIKey is JRQPCAZWPARWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-23(14-17-8-4-3-5-9-17)21(16-22-20(24)15-25-2)12-18-10-6-7-11-19(18)13-21/h3-11H,12-16H2,1-2H3,(H,22,24).
What are the key properties of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide?
N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide has a molecular weight of 354.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 23723708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).