N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide

C23H23NO3S — CID 19501156

IUPACN-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)cc1
InChIInChI=1S/C23H23NO3S/c1-14-9-15(2)22(16(3)10-14)27-12-18-11-21(28-13-18)23(26)24-20-7-5-19(6-8-20)17(4)25/h5-11,13H,12H2,1-4H3,(H,24,26)
InChIKeyUPZMWHPNHRHUIL-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.71
Rot. Bonds6

About N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide

N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19501156) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19501156
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)cc1
InChIInChI=1S/C23H23NO3S/c1-14-9-15(2)22(16(3)10-14)27-12-18-11-21(28-13-18)23(26)24-20-7-5-19(6-8-20)17(4)25/h5-11,13H,12H2,1-4H3,(H,24,26)
InChIKeyUPZMWHPNHRHUIL-UHFFFAOYSA-N
XLogP5.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301
N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501205
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
N-[3-(trifluoromethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501110
N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493180
N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505153
N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489010
4-[(2,6-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 19486917
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501218
N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501220
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19501156) is N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is UPZMWHPNHRHUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-14-9-15(2)22(16(3)10-14)27-12-18-11-21(28-13-18)23(26)24-20-7-5-19(6-8-20)17(4)25/h5-11,13H,12H2,1-4H3,(H,24,26).
What are the key properties of N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19501156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).