2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide

C21H21FN2O3S — CID 133187984

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccc2ccccc12)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C21H21FN2O3S/c1-15(24(28(2,26)27)19-11-6-10-18(22)13-19)21(25)23-14-17-9-5-8-16-7-3-4-12-20(16)17/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyYLNQZNUZXPHFNA-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.45
Rot. Bonds6

About 2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide

2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide (PubChem CID 133187984) has the molecular formula C21H21FN2O3S and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
PubChem CID133187984
Molecular FormulaC21H21FN2O3S
Molecular Weight400.48 g/mol
Exact Mass400.13
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccc2ccccc12)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C21H21FN2O3S/c1-15(24(28(2,26)27)19-11-6-10-18(22)13-19)21(25)23-14-17-9-5-8-16-7-3-4-12-20(16)17/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyYLNQZNUZXPHFNA-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53288479
(2R)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99132766
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 125062660
N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288205
N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 133265286
2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 53288409
N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288474
2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125076618
2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132669480
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
2-(3-chloro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)butanamide
CID 133218972

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide (CID 133187984) is 2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide is CC(C(=O)NCc1cccc2ccccc12)N(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide?
The InChIKey is YLNQZNUZXPHFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3S/c1-15(24(28(2,26)27)19-11-6-10-18(22)13-19)21(25)23-14-17-9-5-8-16-7-3-4-12-20(16)17/h3-13,15H,14H2,1-2H3,(H,23,25).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide has a molecular weight of 400.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 133187984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).