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

C20H23NO2S — CID 91631297

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide
SMILESCOC1(CNC(=O)CCSc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C20H23NO2S/c1-23-20(13-16-7-5-6-8-17(16)14-20)15-21-19(22)11-12-24-18-9-3-2-4-10-18/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyDPHHJXMZSOMADY-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.47
Rot. Bonds7

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

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide (PubChem CID 91631297) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide
PubChem CID91631297
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide
SMILESCOC1(CNC(=O)CCSc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C20H23NO2S/c1-23-20(13-16-7-5-6-8-17(16)14-20)15-21-19(22)11-12-24-18-9-3-2-4-10-18/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyDPHHJXMZSOMADY-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((4-fluorophenyl)thio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631299
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylthio)propanamide
CID 71782151
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 71782165
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
2-(cyclopentylthio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631279
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-(methylthio)benzamide
CID 91631286
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclohex-3-enecarboxamide
CID 91631310
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]-2-(thiophen-3-yl)acetamide
CID 91631315
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(methylsulfonyl)phenyl)propanamide
CID 91631322
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 91631359
2-((4-fluorophenyl)thio)-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)acetamide
CID 71782152
N-(2-(2-fluorophenyl)-2-methoxypropyl)-3-(phenylthio)propanamide
CID 71810628

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide (CID 91631297) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide is COC1(CNC(=O)CCSc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide?
The InChIKey is DPHHJXMZSOMADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-23-20(13-16-7-5-6-8-17(16)14-20)15-21-19(22)11-12-24-18-9-3-2-4-10-18/h2-10H,11-15H2,1H3,(H,21,22).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylsulfanylpropanamide has a molecular weight of 341.48 g/mol, XLogP of 3.47, 7 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]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 91631297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).