4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide

C24H25FN2O2S — CID 19495079

IUPAC4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(COc2ccccc2F)cs1
InChIInChI=1S/C24H25FN2O2S/c25-21-6-2-3-7-22(21)29-16-19-14-23(30-17-19)24(28)26-20-10-8-18(9-11-20)15-27-12-4-1-5-13-27/h2-3,6-11,14,17H,1,4-5,12-13,15-16H2,(H,26,28)
InChIKeyCSISFXMYHOKBRU-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.70
Rot. Bonds7

About 4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide

4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 19495079) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID19495079
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC Name4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(COc2ccccc2F)cs1
InChIInChI=1S/C24H25FN2O2S/c25-21-6-2-3-7-22(21)29-16-19-14-23(30-17-19)24(28)26-20-10-8-18(9-11-20)15-27-12-4-1-5-13-27/h2-3,6-11,14,17H,1,4-5,12-13,15-16H2,(H,26,28)
InChIKeyCSISFXMYHOKBRU-UHFFFAOYSA-N
XLogP5.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19503369
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-[(2-fluorophenoxy)methyl]thiophen-2-yl]methanone
CID 19495105
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495008
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495129
4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19503002
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495003
N-[4-chloro-1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495167
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19469497
N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503027
N-(2-chloro-5-nitrophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495064
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide (CID 19495079) is 4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(COc2ccccc2F)cs1.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is CSISFXMYHOKBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c25-21-6-2-3-7-22(21)29-16-19-14-23(30-17-19)24(28)26-20-10-8-18(9-11-20)15-27-12-4-1-5-13-27/h2-3,6-11,14,17H,1,4-5,12-13,15-16H2,(H,26,28).
What are the key properties of 4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide?
4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19495079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).