N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide

C19H23FN2O3S — CID 113151961

IUPACN-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(CCc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C19H23FN2O3S/c1-14-8-9-15(2)18(12-14)21-19(23)13-22(26(3,24)25)11-10-16-6-4-5-7-17(16)20/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyHDGXCRBUPIXRJZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.89
Rot. Bonds7

About N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide

N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113151961) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113151961
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(CCc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C19H23FN2O3S/c1-14-8-9-15(2)18(12-14)21-19(23)13-22(26(3,24)25)11-10-16-6-4-5-7-17(16)20/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyHDGXCRBUPIXRJZ-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139245
N-(2,5-dimethylphenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126068160
2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 113151923
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 9427990
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113147158
2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113151927
N-(2,5-dimethylphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287630
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7354164
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-(2-methylphenyl)acetamide
CID 113152301
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150529

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide (CID 113151961) is N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide is Cc1ccc(C)c(NC(=O)CN(CCc2ccccc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is HDGXCRBUPIXRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-14-8-9-15(2)18(12-14)21-19(23)13-22(26(3,24)25)11-10-16-6-4-5-7-17(16)20/h4-9,12H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 378.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113151961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).