2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide

C13H20FN3O3S — CID 79814001

IUPAC2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C13H20FN3O3S/c1-4-13(15,5-2)12(18)16-9-6-7-10(14)11(8-9)17-21(3,19)20/h6-8,17H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyKNFHYFLVQWWALD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.65
Rot. Bonds6

About 2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide

2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide (PubChem CID 79814001) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
PubChem CID79814001
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C13H20FN3O3S/c1-4-13(15,5-2)12(18)16-9-6-7-10(14)11(8-9)17-21(3,19)20/h6-8,17H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyKNFHYFLVQWWALD-UHFFFAOYSA-N
XLogP1.65
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
CID 79813982
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982
4-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylbutanamide
CID 80542664
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
CID 79201442
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924
5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60941392
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119278360
5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 60727246
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852910

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide (CID 79814001) is 2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide is CCC(N)(CC)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1.
What is the InChIKey of 2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide?
The InChIKey is KNFHYFLVQWWALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-4-13(15,5-2)12(18)16-9-6-7-10(14)11(8-9)17-21(3,19)20/h6-8,17H,4-5,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide?
2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide has a molecular weight of 317.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide is sourced from PubChem (CID 79814001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).