2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C22H25NO2S — CID 95685565

IUPAC2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CSCC(=O)c1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25NO2S/c1-16(19-12-11-17-7-5-6-10-20(17)13-19)23-22(25)15-26-14-21(24)18-8-3-2-4-9-18/h2-4,8-9,11-13,16H,5-7,10,14-15H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyWLLREYAZQWFMCQ-MRXNPFEDSA-N
MW367.51 g/mol
LogP4.36
Rot. Bonds7

About 2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 95685565) has the molecular formula C22H25NO2S and a molecular weight of 367.51 g/mol. Its IUPAC name is 2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID95685565
Molecular FormulaC22H25NO2S
Molecular Weight367.51 g/mol
Exact Mass367.16
IUPAC Name2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CSCC(=O)c1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25NO2S/c1-16(19-12-11-17-7-5-6-10-20(17)13-19)23-22(25)15-26-14-21(24)18-8-3-2-4-9-18/h2-4,8-9,11-13,16H,5-7,10,14-15H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyWLLREYAZQWFMCQ-MRXNPFEDSA-N
XLogP4.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
CID 9395259
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190952
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 133185918
2-pyrimidin-2-ylsulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 51110143
2-(4-benzoylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 84913276
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide
CID 133191909
4-(4-fluorophenyl)-4-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 9395353
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8873161
4-phenoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 127115534
[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] pyrrolidine-1-carbodithioate
CID 8950878
[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate
CID 8938468

Frequently Asked Questions

What is the IUPAC name of 2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 95685565) is 2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is C[C@@H](NC(=O)CSCC(=O)c1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is WLLREYAZQWFMCQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25NO2S/c1-16(19-12-11-17-7-5-6-10-20(17)13-19)23-22(25)15-26-14-21(24)18-8-3-2-4-9-18/h2-4,8-9,11-13,16H,5-7,10,14-15H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of 2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 367.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 95685565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).