(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide

C18H21FN2O3S — CID 99132717

IUPAC(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O3S/c1-4-14-8-10-16(11-9-14)20-18(22)13(2)21(25(3,23)24)17-7-5-6-15(19)12-17/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyUNYFQTDKXFUBKE-ZDUSSCGKSA-N
MW364.44 g/mol
LogP3.18
Rot. Bonds6

About (2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide

(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 99132717) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is (2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID99132717
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O3S/c1-4-14-8-10-16(11-9-14)20-18(22)13(2)21(25(3,23)24)17-7-5-6-15(19)12-17/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyUNYFQTDKXFUBKE-ZDUSSCGKSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716
2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662529
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531
N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132664773
N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 133265286
methyl 3-[[(2S)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 99132598
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 1265335
N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288474
N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288098
(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132583
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 132658835

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide (CID 99132717) is (2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide is CCc1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is UNYFQTDKXFUBKE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-4-14-8-10-16(11-9-14)20-18(22)13(2)21(25(3,23)24)17-7-5-6-15(19)12-17/h5-13H,4H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 364.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 99132717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).