N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide

C14H21FN2O3S — CID 53288474

IUPACN-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCC(C)NC(=O)C(C)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-5-10(2)16-14(18)11(3)17(21(4,19)20)13-8-6-7-12(15)9-13/h6-11H,5H2,1-4H3,(H,16,18)
InChIKeyYTFBWZUISXMIDW-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.89
Rot. Bonds6

About N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide

N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 53288474) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID53288474
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCC(C)NC(=O)C(C)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-5-10(2)16-14(18)11(3)17(21(4,19)20)13-8-6-7-12(15)9-13/h6-11H,5H2,1-4H3,(H,16,18)
InChIKeyYTFBWZUISXMIDW-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125076618
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 132663175
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 99132773
2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716
(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132717
(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132583
N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288098
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53288479
(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
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 42587370

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide (CID 53288474) is N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide is CCC(C)NC(=O)C(C)N(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is YTFBWZUISXMIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-5-10(2)16-14(18)11(3)17(21(4,19)20)13-8-6-7-12(15)9-13/h6-11H,5H2,1-4H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 53288474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).