4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide

C18H20ClNO2S — CID 19503355

IUPAC4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H20ClNO2S/c19-14-6-8-16(9-7-14)22-11-13-10-17(23-12-13)18(21)20-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11H2,(H,20,21)
InChIKeyGDPOTBDAIHNSIW-UHFFFAOYSA-N
MW349.88 g/mol
LogP5.04
Rot. Bonds5

About 4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide

4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide (PubChem CID 19503355) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
PubChem CID19503355
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H20ClNO2S/c19-14-6-8-16(9-7-14)22-11-13-10-17(23-12-13)18(21)20-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11H2,(H,20,21)
InChIKeyGDPOTBDAIHNSIW-UHFFFAOYSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.88
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19503276
4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
CID 19503287
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174
N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499225
4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19505128
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
4-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620576
4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 19505245
N-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
N-cyclopentyl-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486863
4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19503369

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide (CID 19503355) is 4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide is O=C(NC1CCCCC1)c1cc(COc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide?
The InChIKey is GDPOTBDAIHNSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c19-14-6-8-16(9-7-14)22-11-13-10-17(23-12-13)18(21)20-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11H2,(H,20,21).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide?
4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide has a molecular weight of 349.88 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide is sourced from PubChem (CID 19503355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).