N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C24H25FN2O3S — CID 26994332

IUPACN-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H25FN2O3S/c1-26(11-16-30-20-9-7-19(25)8-10-20)23(28)22-17-21(18-5-3-2-4-6-18)24(31-22)27-12-14-29-15-13-27/h2-10,17H,11-16H2,1H3
InChIKeyAUEQUGGCWSIFKA-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.54
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 26994332) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID26994332
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H25FN2O3S/c1-26(11-16-30-20-9-7-19(25)8-10-20)23(28)22-17-21(18-5-3-2-4-6-18)24(31-22)27-12-14-29-15-13-27/h2-10,17H,11-16H2,1H3
InChIKeyAUEQUGGCWSIFKA-UHFFFAOYSA-N
XLogP4.54
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 26994332) is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is AUEQUGGCWSIFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-26(11-16-30-20-9-7-19(25)8-10-20)23(28)22-17-21(18-5-3-2-4-6-18)24(31-22)27-12-14-29-15-13-27/h2-10,17H,11-16H2,1H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 26994332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).