(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide

C13H17FN2O3S — CID 124561228

IUPAC(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C13H17FN2O3S/c1-4-9-15-13(17)10(2)16(20(3,18)19)12-7-5-11(14)6-8-12/h4-8,10H,1,9H2,2-3H3,(H,15,17)/t10-/m1/s1
InChIKeyNWWROFFIDQDRMU-SNVBAGLBSA-N
MW300.36 g/mol
LogP1.28
Rot. Bonds6

About (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide

(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide (PubChem CID 124561228) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
PubChem CID124561228
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC Name(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C13H17FN2O3S/c1-4-9-15-13(17)10(2)16(20(3,18)19)12-7-5-11(14)6-8-12/h4-8,10H,1,9H2,2-3H3,(H,15,17)/t10-/m1/s1
InChIKeyNWWROFFIDQDRMU-SNVBAGLBSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 2217803
2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 2914975
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 124561221
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
N-[[4-(diethylamino)phenyl]methyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133187050
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991472
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100565576
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]propanamide
CID 132664346
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 28575427
2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide
CID 2193981
(2R)-2-(4-fluoro-N-methylsulfonylanilino)propanoic acid
CID 7378453
(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991456

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide (CID 124561228) is (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The InChIKey is NWWROFFIDQDRMU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-4-9-15-13(17)10(2)16(20(3,18)19)12-7-5-11(14)6-8-12/h4-8,10H,1,9H2,2-3H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 124561228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).