N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide

C15H23FN2O3S — CID 113152008

IUPACN-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
SMILESCCC(C)NC(=O)CN(CCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-4-12(2)17-15(19)11-18(22(3,20)21)10-9-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyKAZWSYYFUSDKRH-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.54
Rot. Bonds8

About N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide

N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152008) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152008
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC NameN-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
SMILESCCC(C)NC(=O)CN(CCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-4-12(2)17-15(19)11-18(22(3,20)21)10-9-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyKAZWSYYFUSDKRH-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

N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152263
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide
CID 113152077
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(2R)-butan-2-yl]acetamide
CID 92517973
N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150085
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113152095
N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140692
N-[2-(4-fluorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113152017
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide
CID 113152686
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251801
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113152094
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide (CID 113152008) is N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide is CCC(C)NC(=O)CN(CCc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is KAZWSYYFUSDKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-4-12(2)17-15(19)11-18(22(3,20)21)10-9-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]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 N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).