(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide

C18H21FN2O3S — CID 99132583

IUPAC(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O3S/c1-12-7-5-8-13(2)17(12)20-18(22)14(3)21(25(4,23)24)16-10-6-9-15(19)11-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyRQNFLYOVFQDKJW-AWEZNQCLSA-N
MW364.44 g/mol
LogP3.24
Rot. Bonds5

About (2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide

(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 99132583) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is (2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID99132583
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O3S/c1-12-7-5-8-13(2)17(12)20-18(22)14(3)21(25(4,23)24)16-10-6-9-15(19)11-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyRQNFLYOVFQDKJW-AWEZNQCLSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288098
2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 132656825
N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132654304
2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
(2R)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99132766
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125076618
(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716
N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132664773
(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132717
N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662529
2-(4-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 84894608

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide (CID 99132583) is (2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide is Cc1cccc(C)c1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is RQNFLYOVFQDKJW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12-7-5-8-13(2)17(12)20-18(22)14(3)21(25(4,23)24)16-10-6-9-15(19)11-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 364.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 99132583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).