2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide

C15H23FN2O3S — CID 113148670

IUPAC2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCCC(C)N(CC(=O)NCCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-4-12(2)18(22(3,20)21)11-15(19)17-10-9-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyYKWZYSHKOFMMGT-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.54
Rot. Bonds8

About 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide

2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 113148670) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID113148670
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCCC(C)N(CC(=O)NCCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-4-12(2)18(22(3,20)21)11-15(19)17-10-9-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyYKWZYSHKOFMMGT-UHFFFAOYSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113148681
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150529
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113157688
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113154876
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155162
2-[acetyl(tert-butyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113166096
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
CID 113136483

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 113148670) is 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide is CCC(C)N(CC(=O)NCCc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is YKWZYSHKOFMMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-4-12(2)18(22(3,20)21)11-15(19)17-10-9-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113148670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).