N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide

C20H22FNOS — CID 133185918

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESCC(NC(=O)CSCc1ccccc1F)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H22FNOS/c1-14(16-10-9-15-6-4-7-17(15)11-16)22-20(23)13-24-12-18-5-2-3-8-19(18)21/h2-3,5,8-11,14H,4,6-7,12-13H2,1H3,(H,22,23)
InChIKeyFCHCTRUSAOPDGI-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.43
Rot. Bonds6

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 133185918) has the molecular formula C20H22FNOS and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
PubChem CID133185918
Molecular FormulaC20H22FNOS
Molecular Weight343.47 g/mol
Exact Mass343.14
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESCC(NC(=O)CSCc1ccccc1F)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H22FNOS/c1-14(16-10-9-15-6-4-7-17(15)11-16)22-20(23)13-24-12-18-5-2-3-8-19(18)21/h2-3,5,8-11,14H,4,6-7,12-13H2,1H3,(H,22,23)
InChIKeyFCHCTRUSAOPDGI-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190952
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 94487638
N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 132650849
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31542494
2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 95685565
2-(2-fluorophenoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9395568
1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108866821
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 42942982
3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide
CID 133189162
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 133188679
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide
CID 133191909
2-pyrimidin-2-ylsulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 51110143

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide (CID 133185918) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide is CC(NC(=O)CSCc1ccccc1F)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is FCHCTRUSAOPDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNOS/c1-14(16-10-9-15-6-4-7-17(15)11-16)22-20(23)13-24-12-18-5-2-3-8-19(18)21/h2-3,5,8-11,14H,4,6-7,12-13H2,1H3,(H,22,23).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 133185918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).