2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide

C13H19FN2O3S — CID 113093318

IUPAC2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cc(F)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H19FN2O3S/c1-4-9(5-2)13(17)15-12-8-10(14)6-7-11(12)16-20(3,18)19/h6-9,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyNMEGLUYUEABLDX-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.57
Rot. Bonds6

About 2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide

2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide (PubChem CID 113093318) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide
PubChem CID113093318
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cc(F)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H19FN2O3S/c1-4-9(5-2)13(17)15-12-8-10(14)6-7-11(12)16-20(3,18)19/h6-9,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyNMEGLUYUEABLDX-UHFFFAOYSA-N
XLogP2.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-fluoro-2-(methanesulfonamido)phenyl]propanamide
CID 113093309
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
N-[5-fluoro-2-(methanesulfonamido)phenyl]-2-phenylacetamide
CID 113093344
N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
CID 113093375
N-[5-fluoro-2-(methanesulfonamido)phenyl]-2-(4-methoxyphenyl)acetamide
CID 113093347
4-fluoro-2-(2-propylpentanoylamino)benzoic acid
CID 82984973
2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide
CID 115186809
N-[5-fluoro-2-(methanesulfonamido)phenyl]oxolane-2-carboxamide
CID 113093316
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
(2S)-2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119856697
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
4-(2-ethylbutanoylamino)-3-methylbenzenesulfonic acid
CID 72947233

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide (CID 113093318) is 2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide is CCC(CC)C(=O)Nc1cc(F)ccc1NS(C)(=O)=O.
What is the InChIKey of 2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide?
The InChIKey is NMEGLUYUEABLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-4-9(5-2)13(17)15-12-8-10(14)6-7-11(12)16-20(3,18)19/h6-9,16H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide?
2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide has a molecular weight of 302.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide is sourced from PubChem (CID 113093318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).