4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide

C21H21NO3S — CID 19486975

IUPAC4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(COc3c(C)cccc3C)cs2)c1
InChIInChI=1S/C21H21NO3S/c1-14-6-4-7-15(2)20(14)25-12-16-10-19(26-13-16)21(23)22-17-8-5-9-18(11-17)24-3/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyNIPSEJJXIWTFRJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.20
Rot. Bonds6

About 4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide

4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 19486975) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
PubChem CID19486975
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(COc3c(C)cccc3C)cs2)c1
InChIInChI=1S/C21H21NO3S/c1-14-6-4-7-15(2)20(14)25-12-16-10-19(26-13-16)21(23)22-17-8-5-9-18(11-17)24-3/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyNIPSEJJXIWTFRJ-UHFFFAOYSA-N
XLogP5.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19495261
4-[(2,6-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 19486917
4-[(2,6-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 19488686
N-[3-(trifluoromethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501110
N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19505455
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide (CID 19486975) is 4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide is COc1cccc(NC(=O)c2cc(COc3c(C)cccc3C)cs2)c1.
What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is NIPSEJJXIWTFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-14-6-4-7-15(2)20(14)25-12-16-10-19(26-13-16)21(23)22-17-8-5-9-18(11-17)24-3/h4-11,13H,12H2,1-3H3,(H,22,23).
What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19486975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).