2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide

C13H19FN2O3S — CID 47064825

IUPAC2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H19FN2O3S/c1-3-4-7-16(9-13(15)17)20(18,19)12-8-11(14)6-5-10(12)2/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,17)
InChIKeyYRAUWGMVMBATOX-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.41
Rot. Bonds7

About 2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide

2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide (PubChem CID 47064825) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
PubChem CID47064825
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H19FN2O3S/c1-3-4-7-16(9-13(15)17)20(18,19)12-8-11(14)6-5-10(12)2/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,17)
InChIKeyYRAUWGMVMBATOX-UHFFFAOYSA-N
XLogP1.41
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 61105509
2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
CID 61106635
2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62921884
2-[(3-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 63322009
2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide
CID 47090064
N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 39633113
N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 63287461
ethyl 2-[(2,5-difluorophenyl)sulfonyl-propylamino]acetate
CID 61008684
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
CID 106919288
2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide
CID 61072716

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide (CID 47064825) is 2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1C.
What is the InChIKey of 2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide?
The InChIKey is YRAUWGMVMBATOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-3-4-7-16(9-13(15)17)20(18,19)12-8-11(14)6-5-10(12)2/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide?
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 47064825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).