N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide

C22H22N2O3S — CID 19483514

IUPACN-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(COc3ccc(C)cc3C)cs2)cc1
InChIInChI=1S/C22H22N2O3S/c1-14-4-9-20(15(2)10-14)27-12-17-11-21(28-13-17)22(26)24-19-7-5-18(6-8-19)23-16(3)25/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIPEHBFAJVFXOGR-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.15
Rot. Bonds6

About N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide

N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19483514) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19483514
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(COc3ccc(C)cc3C)cs2)cc1
InChIInChI=1S/C22H22N2O3S/c1-14-4-9-20(15(2)10-14)27-12-17-11-21(28-13-17)22(26)24-19-7-5-18(6-8-19)23-16(3)25/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIPEHBFAJVFXOGR-UHFFFAOYSA-N
XLogP5.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19483492
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501156
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19471754
N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489010
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782
4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19483664
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483503
4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 19483513
N-(1-adamantyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483510

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19483514) is N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(COc3ccc(C)cc3C)cs2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is IPEHBFAJVFXOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-14-4-9-20(15(2)10-14)27-12-17-11-21(28-13-17)22(26)24-19-7-5-18(6-8-19)23-16(3)25/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide?
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19483514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).