(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide

C15H23FN2O3S — CID 125076618

IUPAC(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@H](C)NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-10(2)11(3)17-15(19)12(4)18(22(5,20)21)14-8-6-7-13(16)9-14/h6-12H,1-5H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyWLTCMLGKDOJCEK-RYUDHWBXSA-N
MW330.43 g/mol
LogP2.14
Rot. Bonds6

About (2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide

(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide (PubChem CID 125076618) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
PubChem CID125076618
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@H](C)NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-10(2)11(3)17-15(19)12(4)18(22(5,20)21)14-8-6-7-13(16)9-14/h6-12H,1-5H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyWLTCMLGKDOJCEK-RYUDHWBXSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288474
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100565576
2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
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
(2R)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99132688
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132793
2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 132656825
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531
(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53288479
(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132717

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide?
The IUPAC name of (2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide (CID 125076618) is (2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide is CC(C)[C@H](C)NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide?
The InChIKey is WLTCMLGKDOJCEK-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-10(2)11(3)17-15(19)12(4)18(22(5,20)21)14-8-6-7-13(16)9-14/h6-12H,1-5H3,(H,17,19)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide?
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide has a molecular weight of 330.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 125076618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).