N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide

C19H23NO3S — CID 19499225

IUPACN-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C19H23NO3S/c1-22-16-7-9-17(10-8-16)23-12-14-11-18(24-13-14)19(21)20-15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,20,21)
InChIKeyHDLTVWBNWJVIAZ-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.40
Rot. Bonds6

About N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide

N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19499225) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19499225
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C19H23NO3S/c1-22-16-7-9-17(10-8-16)23-12-14-11-18(24-13-14)19(21)20-15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,20,21)
InChIKeyHDLTVWBNWJVIAZ-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174
4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
CID 19503355
4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19503276
4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
CID 19503287
N-cyclohexyl-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 3374262
4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19505128
N-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
N-cyclopentyl-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486863
N-(1-methylpiperidin-4-yl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19500840
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
4-[(4-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
CID 19469556
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490992

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide (CID 19499225) is N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide is COc1ccc(OCc2csc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is HDLTVWBNWJVIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-22-16-7-9-17(10-8-16)23-12-14-11-18(24-13-14)19(21)20-15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,20,21).
What are the key properties of N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 345.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19499225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).