N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide

C19H21FN2O4S — CID 113152095

IUPACN-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(CCc2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21FN2O4S/c1-14(23)16-4-3-5-18(12-16)21-19(24)13-22(27(2,25)26)11-10-15-6-8-17(20)9-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyWLKYZTMMQIAPAX-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.47
Rot. Bonds8

About N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide

N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152095) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152095
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(CCc2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21FN2O4S/c1-14(23)16-4-3-5-18(12-16)21-19(24)13-22(27(2,25)26)11-10-15-6-8-17(20)9-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyWLKYZTMMQIAPAX-UHFFFAOYSA-N
XLogP2.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1311794
2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide
CID 113148397
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide
CID 113152077
N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 21373041
methyl 3-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]benzoate
CID 113147599
N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147787
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382
methyl 3-[[2-[2-methoxyethyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113149369
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717
N-(3-acetylphenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544853

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide (CID 113152095) is N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide is CC(=O)c1cccc(NC(=O)CN(CCc2ccc(F)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is WLKYZTMMQIAPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-14(23)16-4-3-5-18(12-16)21-19(24)13-22(27(2,25)26)11-10-15-6-8-17(20)9-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide?
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 392.45 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).