N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide

C19H21NO2S — CID 91631286

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide
SMILESCOC1(CNC(=O)c2ccccc2SC)Cc2ccccc2C1
InChIInChI=1S/C19H21NO2S/c1-22-19(11-14-7-3-4-8-15(14)12-19)13-20-18(21)16-9-5-6-10-17(16)23-2/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyGIVDLMCNRKEIMF-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.32
Rot. Bonds5

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide (PubChem CID 91631286) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide
PubChem CID91631286
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide
SMILESCOC1(CNC(=O)c2ccccc2SC)Cc2ccccc2C1
InChIInChI=1S/C19H21NO2S/c1-22-19(11-14-7-3-4-8-15(14)12-19)13-20-18(21)16-9-5-6-10-17(16)23-2/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyGIVDLMCNRKEIMF-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl]o-(methylthio)benzamide
CID 97428348
N-{[(S)-1-hydroxy-1-indanyl]methyl}o-(difluoromethylsulfonyl)benzamide
CID 99873856
N-[(1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl]-2-(methylsulfanyl)benzamide
CID 71782139
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]thiophene-3-carboxamide
CID 91631267
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-methylbenzamide
CID 91631268
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(phenylthio)propanamide
CID 91631297
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)benzo[b]thiophene-2-carboxamide
CID 91631318
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]o-(methylthio)benzamide
CID 97417682
N-(2-(2-fluorophenyl)-2-methoxypropyl)-2-(methylthio)benzamide
CID 71810619
2-((difluoromethyl)sulfonyl)-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)benzamide
CID 76147731
2-(ethylthio)-N-(2-(2-fluorophenyl)-2-methoxypropyl)benzamide
CID 90599137
2-fluoro-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)benzamide
CID 91631270

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide (CID 91631286) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide is COC1(CNC(=O)c2ccccc2SC)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide?
The InChIKey is GIVDLMCNRKEIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-22-19(11-14-7-3-4-8-15(14)12-19)13-20-18(21)16-9-5-6-10-17(16)23-2/h3-10H,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide has a molecular weight of 327.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 91631286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).