2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide

C18H21FN2O3S — CID 113150994

IUPAC2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-25(23,24)21(13-16-7-9-17(19)10-8-16)14-18(22)20-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyAUCAFQYXPIZPAQ-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.95
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide

2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide (PubChem CID 113150994) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
PubChem CID113150994
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-25(23,24)21(13-16-7-9-17(19)10-8-16)14-18(22)20-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyAUCAFQYXPIZPAQ-UHFFFAOYSA-N
XLogP1.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151614
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
2-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 78787355
2-[benzyl(methylsulfonyl)amino]-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 100750228
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151847
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 100717418
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113150992
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide (CID 113150994) is 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide is CS(=O)(=O)N(CC(=O)NCCc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is AUCAFQYXPIZPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-25(23,24)21(13-16-7-9-17(19)10-8-16)14-18(22)20-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,22).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide?
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 364.44 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 113150994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).