N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide

C18H21FN2O3S — CID 50977096

IUPACN-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(14-7-9-16(10-8-14)25(2,23)24)20-12-18(22)21-11-15-5-3-4-6-17(15)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyXMRLQVORKBMGJU-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.20
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide

N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide (PubChem CID 50977096) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
PubChem CID50977096
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(14-7-9-16(10-8-14)25(2,23)24)20-12-18(22)21-11-15-5-3-4-6-17(15)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyXMRLQVORKBMGJU-UHFFFAOYSA-N
XLogP2.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide (CID 50977096) is N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide is CC(NCC(=O)NCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide?
The InChIKey is XMRLQVORKBMGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13(14-7-9-16(10-8-14)25(2,23)24)20-12-18(22)21-11-15-5-3-4-6-17(15)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide?
N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide has a molecular weight of 364.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide is sourced from PubChem (CID 50977096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).