2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide

C21H20F2N2O3S — CID 133218889

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccc2ccccc2c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C21H20F2N2O3S/c1-14(25(29(2,27)28)18-9-10-19(22)20(23)12-18)21(26)24-13-15-7-8-16-5-3-4-6-17(16)11-15/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyXLVKLJHSABMSQI-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.59
Rot. Bonds6

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide (PubChem CID 133218889) has the molecular formula C21H20F2N2O3S and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
PubChem CID133218889
Molecular FormulaC21H20F2N2O3S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccc2ccccc2c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C21H20F2N2O3S/c1-14(25(29(2,27)28)18-9-10-19(22)20(23)12-18)21(26)24-13-15-7-8-16-5-3-4-6-17(16)11-15/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyXLVKLJHSABMSQI-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53288405
(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 100660301
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218795
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 133201978
(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 125063438
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 133228169
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
(2R)-N-(2-tert-butylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 99131928
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218878
2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 133187984

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide (CID 133218889) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide is CC(C(=O)NCc1ccc2ccccc2c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
The InChIKey is XLVKLJHSABMSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3S/c1-14(25(29(2,27)28)18-9-10-19(22)20(23)12-18)21(26)24-13-15-7-8-16-5-3-4-6-17(16)11-15/h3-12,14H,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide has a molecular weight of 418.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide is sourced from PubChem (CID 133218889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).