N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide

C25H23FN2O2S — CID 53093738

IUPACN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C25H23FN2O2S/c26-22-9-6-18(7-10-22)16-31-17-24(29)27-15-19-8-11-23-21(14-19)12-13-28(23)25(30)20-4-2-1-3-5-20/h1-11,14H,12-13,15-17H2,(H,27,29)
InChIKeyHXPFBKOVGDBLPD-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.58
Rot. Bonds7

About N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide

N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 53093738) has the molecular formula C25H23FN2O2S and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
PubChem CID53093738
Molecular FormulaC25H23FN2O2S
Molecular Weight434.54 g/mol
Exact Mass434.15
IUPAC NameN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C25H23FN2O2S/c26-22-9-6-18(7-10-22)16-31-17-24(29)27-15-19-8-11-23-21(14-19)12-13-28(23)25(30)20-4-2-1-3-5-20/h1-11,14H,12-13,15-17H2,(H,27,29)
InChIKeyHXPFBKOVGDBLPD-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide
CID 53093773
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-methoxybenzamide
CID 53093708
methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
CID 10732628
1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea
CID 53090079
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide
CID 53093735
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide
CID 53093713
N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-[(4-fluorophenyl)methyl]urea
CID 30372619
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 51100138
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 5045191

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide (CID 53093738) is N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccc(F)cc1)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1.
What is the InChIKey of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is HXPFBKOVGDBLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2S/c26-22-9-6-18(7-10-22)16-31-17-24(29)27-15-19-8-11-23-21(14-19)12-13-28(23)25(30)20-4-2-1-3-5-20/h1-11,14H,12-13,15-17H2,(H,27,29).
What are the key properties of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 53093738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).