(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide

C18H21FN2O3S — CID 124561263

IUPAC(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H21FN2O3S/c1-12-5-10-17(13(2)11-12)20-18(22)14(3)21(25(4,23)24)16-8-6-15(19)7-9-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyJACYJFFSHJZMRS-CQSZACIVSA-N
MW364.44 g/mol
LogP3.24
Rot. Bonds5

About (2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide

(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 124561263) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID124561263
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H21FN2O3S/c1-12-5-10-17(13(2)11-12)20-18(22)14(3)21(25(4,23)24)16-8-6-15(19)7-9-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyJACYJFFSHJZMRS-CQSZACIVSA-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

(2R)-N-(2,4-difluorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2239790
2-(4-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 84894608
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 132664782
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 28636929
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
N-(3,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 53281549
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248741
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)propanamide
CID 132660136
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132656635

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide (CID 124561263) is (2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide is Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of (2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is JACYJFFSHJZMRS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12-5-10-17(13(2)11-12)20-18(22)14(3)21(25(4,23)24)16-8-6-15(19)7-9-16/h5-11,14H,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide?
(2R)-N-(2,4-dimethylphenyl)-2-(4-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 (2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 124561263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).