4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C18H21ClN2O2S — CID 19505245

IUPAC4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc(COc3cccc(Cl)c3)cs2)CC1
InChIInChI=1S/C18H21ClN2O2S/c1-21-7-5-15(6-8-21)20-18(22)17-9-13(12-24-17)11-23-16-4-2-3-14(19)10-16/h2-4,9-10,12,15H,5-8,11H2,1H3,(H,20,22)
InChIKeyZDIJQMYVUOVSND-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.80
Rot. Bonds5

About 4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 19505245) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID19505245
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc(COc3cccc(Cl)c3)cs2)CC1
InChIInChI=1S/C18H21ClN2O2S/c1-21-7-5-15(6-8-21)20-18(22)17-9-13(12-24-17)11-23-16-4-2-3-14(19)10-16/h2-4,9-10,12,15H,5-8,11H2,1H3,(H,20,22)
InChIKeyZDIJQMYVUOVSND-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19505128
N-(1-methylpiperidin-4-yl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19500840
4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
CID 19503287
4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
CID 19503355
4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19503276
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491228
4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
CID 19493303
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490992
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505218
4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19505101
N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505153

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 19505245) is 4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is CN1CCC(NC(=O)c2cc(COc3cccc(Cl)c3)cs2)CC1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is ZDIJQMYVUOVSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-21-7-5-15(6-8-21)20-18(22)17-9-13(12-24-17)11-23-16-4-2-3-14(19)10-16/h2-4,9-10,12,15H,5-8,11H2,1H3,(H,20,22).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 364.90 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19505245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).