N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C17H19FN2O3S — CID 18120021

IUPACN-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N(C)CCOc2ccccc2F)s1
InChIInChI=1S/C17H19FN2O3S/c1-12-7-8-15(24-12)17(22)19-11-16(21)20(2)9-10-23-14-6-4-3-5-13(14)18/h3-8H,9-11H2,1-2H3,(H,19,22)
InChIKeyGNDWNVYTWFKPAU-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.46
Rot. Bonds7

About N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 18120021) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID18120021
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N(C)CCOc2ccccc2F)s1
InChIInChI=1S/C17H19FN2O3S/c1-12-7-8-15(24-12)17(22)19-11-16(21)20(2)9-10-23-14-6-4-3-5-13(14)18/h3-8H,9-11H2,1-2H3,(H,19,22)
InChIKeyGNDWNVYTWFKPAU-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 18120021) is N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N(C)CCOc2ccccc2F)s1.
What is the InChIKey of N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is GNDWNVYTWFKPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12-7-8-15(24-12)17(22)19-11-16(21)20(2)9-10-23-14-6-4-3-5-13(14)18/h3-8H,9-11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 18120021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).