4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide

C18H20ClNO2S — CID 19486629

IUPAC4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1OCc1csc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C18H20ClNO2S/c1-12-8-14(19)6-7-16(12)22-10-13-9-17(23-11-13)18(21)20-15-4-2-3-5-15/h6-9,11,15H,2-5,10H2,1H3,(H,20,21)
InChIKeyNRNPZJKWSHDJAI-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.96
Rot. Bonds5

About 4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide

4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide (PubChem CID 19486629) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
PubChem CID19486629
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1OCc1csc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C18H20ClNO2S/c1-12-8-14(19)6-7-16(12)22-10-13-9-17(23-11-13)18(21)20-15-4-2-3-5-15/h6-9,11,15H,2-5,10H2,1H3,(H,20,21)
InChIKeyNRNPZJKWSHDJAI-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19503276
4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
CID 19503355
4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
CID 19503287
4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19505128
N-cyclopentyl-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486863
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19486726
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174
N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499225
4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 19486728
4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 19505245

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide (CID 19486629) is 4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide is Cc1cc(Cl)ccc1OCc1csc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide?
The InChIKey is NRNPZJKWSHDJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-12-8-14(19)6-7-16(12)22-10-13-9-17(23-11-13)18(21)20-15-4-2-3-5-15/h6-9,11,15H,2-5,10H2,1H3,(H,20,21).
What are the key properties of 4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide?
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide has a molecular weight of 349.88 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide is sourced from PubChem (CID 19486629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).