N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

C21H21FN2O3S — CID 43904526

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCC(NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O3S/c1-15(16-10-12-18(22)13-11-16)23-21(25)14-24(28(2,26)27)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyJKGJGMMLVAWMOH-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.62
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (PubChem CID 43904526) has the molecular formula C21H21FN2O3S and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
PubChem CID43904526
Molecular FormulaC21H21FN2O3S
Molecular Weight400.48 g/mol
Exact Mass400.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCC(NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O3S/c1-15(16-10-12-18(22)13-11-16)23-21(25)14-24(28(2,26)27)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyJKGJGMMLVAWMOH-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896263
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43907307
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43915518
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36612731
N-[1-(4-fluorophenyl)ethyl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide
CID 132660307
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 38014585
2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide
CID 113155347
N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
CID 50895807
N-[1-(4-ethoxyphenyl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43876040
2-(2-bromo-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 28633697
N-(4-methyl-4-phenylpentan-2-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896244
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (CID 43904526) is N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is CC(NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is JKGJGMMLVAWMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3S/c1-15(16-10-12-18(22)13-11-16)23-21(25)14-24(28(2,26)27)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 43904526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).