N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide

C21H29FN2O2S — CID 55675683

IUPACN-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC(C)C2CCCCC21
InChIInChI=1S/C21H29FN2O2S/c1-14-11-12-24(19-6-4-3-5-18(14)19)21(26)15(2)27-13-20(25)23-17-9-7-16(22)8-10-17/h7-10,14-15,18-19H,3-6,11-13H2,1-2H3,(H,23,25)
InChIKeyUFZDQYPLSHDVHA-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.31
Rot. Bonds5

About N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide

N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide (PubChem CID 55675683) has the molecular formula C21H29FN2O2S and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide
PubChem CID55675683
Molecular FormulaC21H29FN2O2S
Molecular Weight392.54 g/mol
Exact Mass392.19
IUPAC NameN-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC(C)C2CCCCC21
InChIInChI=1S/C21H29FN2O2S/c1-14-11-12-24(19-6-4-3-5-18(14)19)21(26)15(2)27-13-20(25)23-17-9-7-16(22)8-10-17/h7-10,14-15,18-19H,3-6,11-13H2,1-2H3,(H,23,25)
InChIKeyUFZDQYPLSHDVHA-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylacetamide;hydrochloride
CID 119546108
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51219865
2-[1-(3-anilinopyrrolidin-1-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 56580966
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428204
2-[4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide
CID 55372552
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 51153751
N-(4-aminocyclohexyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 119478124
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
6-methyl-1-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoyl]piperidine-3-carboxylic acid
CID 122114326
N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 51222306
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 7892847
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443855

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide (CID 55675683) is N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide is CC(SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC(C)C2CCCCC21.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide?
The InChIKey is UFZDQYPLSHDVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2S/c1-14-11-12-24(19-6-4-3-5-18(14)19)21(26)15(2)27-13-20(25)23-17-9-7-16(22)8-10-17/h7-10,14-15,18-19H,3-6,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide has a molecular weight of 392.54 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanylacetamide is sourced from PubChem (CID 55675683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).