N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide

C20H19NO3S — CID 19498782

IUPACN-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(COc3ccccc3C)cs2)cc1
InChIInChI=1S/C20H19NO3S/c1-14-5-3-4-6-18(14)24-12-15-11-19(25-13-15)20(22)21-16-7-9-17(23-2)10-8-16/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyAZJPWNNPUKERQU-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.90
Rot. Bonds6

About N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide

N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19498782) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19498782
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(COc3ccccc3C)cs2)cc1
InChIInChI=1S/C20H19NO3S/c1-14-5-3-4-6-18(14)24-12-15-11-19(25-13-15)20(22)21-16-7-9-17(23-2)10-8-16/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyAZJPWNNPUKERQU-UHFFFAOYSA-N
XLogP4.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975
4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19495261
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498796
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503027
N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486859

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19498782) is N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2cc(COc3ccccc3C)cs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is AZJPWNNPUKERQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-14-5-3-4-6-18(14)24-12-15-11-19(25-13-15)20(22)21-16-7-9-17(23-2)10-8-16/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19498782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).