4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide

C23H23FN2O3S — CID 19469497

IUPAC4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)c1)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C23H23FN2O3S/c24-19-4-6-21(7-5-19)29-15-18-13-22(30-16-18)23(27)25-20-3-1-2-17(12-20)14-26-8-10-28-11-9-26/h1-7,12-13,16H,8-11,14-15H2,(H,25,27)
InChIKeyRDTSKBMPRINJJM-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.55
Rot. Bonds7

About 4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide

4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 19469497) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID19469497
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)c1)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C23H23FN2O3S/c24-19-4-6-21(7-5-19)29-15-18-13-22(30-16-18)23(27)25-20-3-1-2-17(12-20)14-26-8-10-28-11-9-26/h1-7,12-13,16H,8-11,14-15H2,(H,25,27)
InChIKeyRDTSKBMPRINJJM-UHFFFAOYSA-N
XLogP4.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501220
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
5-[(4-methoxyphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19451164
4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19503369
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437
4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19505478
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19458923
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469743

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide (CID 19469497) is 4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(CN2CCOCC2)c1)c1cc(COc2ccc(F)cc2)cs1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is RDTSKBMPRINJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c24-19-4-6-21(7-5-19)29-15-18-13-22(30-16-18)23(27)25-20-3-1-2-17(12-20)14-26-8-10-28-11-9-26/h1-7,12-13,16H,8-11,14-15H2,(H,25,27).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19469497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).