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

C24H25ClN2O2S — CID 19503369

IUPAC4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C24H25ClN2O2S/c25-20-6-10-22(11-7-20)29-16-19-14-23(30-17-19)24(28)26-21-8-4-18(5-9-21)15-27-12-2-1-3-13-27/h4-11,14,17H,1-3,12-13,15-16H2,(H,26,28)
InChIKeyFFXXDKJOTSQAHR-UHFFFAOYSA-N
MW441.00 g/mol
LogP6.22
Rot. Bonds7

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

4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 19503369) has the molecular formula C24H25ClN2O2S and a molecular weight of 441.00 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID19503369
Molecular FormulaC24H25ClN2O2S
Molecular Weight441.00 g/mol
Exact Mass440.13
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C24H25ClN2O2S/c25-20-6-10-22(11-7-20)29-16-19-14-23(30-17-19)24(28)26-21-8-4-18(5-9-21)15-27-12-2-1-3-13-27/h4-11,14,17H,1-3,12-13,15-16H2,(H,26,28)
InChIKeyFFXXDKJOTSQAHR-UHFFFAOYSA-N
XLogP6.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.00
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19495079
3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 4765536
N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503362
4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
CID 19503355
4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19503276
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503263
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
4-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620576
4-[(4-chlorophenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19503442
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503393
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503406

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide (CID 19503369) is 4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(COc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is FFXXDKJOTSQAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2S/c25-20-6-10-22(11-7-20)29-16-19-14-23(30-17-19)24(28)26-21-8-4-18(5-9-21)15-27-12-2-1-3-13-27/h4-11,14,17H,1-3,12-13,15-16H2,(H,26,28).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide?
4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 441.00 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19503369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).