3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide

C21H25NO4S — CID 60543597

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide
SMILESCOC(CNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C21H25NO4S/c1-26-20(17-6-3-2-4-7-17)15-22-21(23)12-13-27(24,25)19-11-10-16-8-5-9-18(16)14-19/h2-4,6-7,10-11,14,20H,5,8-9,12-13,15H2,1H3,(H,22,23)
InChIKeyPHVRUGAEENEOQV-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.84
Rot. Bonds8

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide (PubChem CID 60543597) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide
PubChem CID60543597
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide
SMILESCOC(CNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C21H25NO4S/c1-26-20(17-6-3-2-4-7-17)15-22-21(23)12-13-27(24,25)19-11-10-16-8-5-9-18(16)14-19/h2-4,6-7,10-11,14,20H,5,8-9,12-13,15H2,1H3,(H,22,23)
InChIKeyPHVRUGAEENEOQV-UHFFFAOYSA-N
XLogP2.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3-fluorophenyl)-2-methoxyethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 73168410
3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide
CID 90599180
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]3-(phenylthio)propionamide
CID 97553403
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 71782165
N-(isochroman-3-ylmethyl)-N-methyl-3-(phenylsulfonyl)propanamide
CID 91626580
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(methylsulfonyl)phenyl)propanamide
CID 91631322
N-[(R)-2-methoxy-2-(o-tolyl)ethyl](benzylthio)acetamide
CID 97417698
N-[(R)-2-methoxy-2-phenylbutyl][p-(isopropylsulfonyl)phenyl]acetamide
CID 97428604
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]3-(phenylsulfonyl)propionamide
CID 97553626
2-[[5-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-yl]oxy]-N-methylethanamine
CID 11710025
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 55706906
2-(4-fluorophenyl)sulfonyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55818720

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide (CID 60543597) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide is COC(CNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide?
The InChIKey is PHVRUGAEENEOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-26-20(17-6-3-2-4-7-17)15-22-21(23)12-13-27(24,25)19-11-10-16-8-5-9-18(16)14-19/h2-4,6-7,10-11,14,20H,5,8-9,12-13,15H2,1H3,(H,22,23).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide has a molecular weight of 387.50 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-2-phenylethyl)propanamide is sourced from PubChem (CID 60543597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).