2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide

C13H19FN2O3S — CID 113148397

IUPAC2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide
SMILESCCCCN(CC(=O)Nc1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C13H19FN2O3S/c1-3-4-8-16(20(2,18)19)10-13(17)15-12-7-5-6-11(14)9-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,17)
InChIKeyLUNPEFWIYTXBLS-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.83
Rot. Bonds7

About 2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide

2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide (PubChem CID 113148397) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide
PubChem CID113148397
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide
SMILESCCCCN(CC(=O)Nc1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C13H19FN2O3S/c1-3-4-8-16(20(2,18)19)10-13(17)15-12-7-5-6-11(14)9-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,17)
InChIKeyLUNPEFWIYTXBLS-UHFFFAOYSA-N
XLogP1.83
TPSA66.48 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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147615
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567
N-(3-fluorophenyl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 111120327
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
methyl 3-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]benzoate
CID 113147599
2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
CID 113158063
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113152095
3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
CID 113136739
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113150198

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide (CID 113148397) is 2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide is CCCCN(CC(=O)Nc1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is LUNPEFWIYTXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-3-4-8-16(20(2,18)19)10-13(17)15-12-7-5-6-11(14)9-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,17).
What are the key properties of 2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide?
2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113148397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).