N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide

C21H27FN2O3S — CID 133265286

IUPACN-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C21H27FN2O3S/c1-5-16-10-11-17(6-2)18(12-16)14-23-21(25)15(3)24(28(4,26)27)20-9-7-8-19(22)13-20/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyDDUKCRVPMAIMSA-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.42
Rot. Bonds8

About N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide

N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 133265286) has the molecular formula C21H27FN2O3S and a molecular weight of 406.52 g/mol. Its IUPAC name is N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID133265286
Molecular FormulaC21H27FN2O3S
Molecular Weight406.52 g/mol
Exact Mass406.17
IUPAC NameN-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C21H27FN2O3S/c1-5-16-10-11-17(6-2)18(12-16)14-23-21(25)15(3)24(28(4,26)27)20-9-7-8-19(22)13-20/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyDDUKCRVPMAIMSA-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 133202321
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
2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 133187984
(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716
(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132717
N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288205
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 133202204
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

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide (CID 133265286) is N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide is CCc1ccc(CC)c(CNC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is DDUKCRVPMAIMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3S/c1-5-16-10-11-17(6-2)18(12-16)14-23-21(25)15(3)24(28(4,26)27)20-9-7-8-19(22)13-20/h7-13,15H,5-6,14H2,1-4H3,(H,23,25).
What are the key properties of N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 406.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 133265286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).