N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide

C23H25NO2S — CID 19501205

IUPACN-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(OCc2csc(C(=O)Nc3cc(C)ccc3C)c2)c(C)c1
InChIInChI=1S/C23H25NO2S/c1-14-6-7-16(3)20(10-14)24-23(25)21-11-19(13-27-21)12-26-22-17(4)8-15(2)9-18(22)5/h6-11,13H,12H2,1-5H3,(H,24,25)
InChIKeyRXEUQKXWFOOMBM-UHFFFAOYSA-N
MW379.53 g/mol
LogP6.12
Rot. Bonds5

About N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide

N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19501205) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19501205
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC NameN-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(OCc2csc(C(=O)Nc3cc(C)ccc3C)c2)c(C)c1
InChIInChI=1S/C23H25NO2S/c1-14-6-7-16(3)20(10-14)24-23(25)21-11-19(13-27-21)12-26-22-17(4)8-15(2)9-18(22)5/h6-11,13H,12H2,1-5H3,(H,24,25)
InChIKeyRXEUQKXWFOOMBM-UHFFFAOYSA-N
XLogP6.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 19486917
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
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-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
4-[(2,6-dimethylphenoxy)methyl]-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 19486926
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501218
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501264
N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489010

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19501205) is N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is Cc1cc(C)c(OCc2csc(C(=O)Nc3cc(C)ccc3C)c2)c(C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is RXEUQKXWFOOMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-14-6-7-16(3)20(10-14)24-23(25)21-11-19(13-27-21)12-26-22-17(4)8-15(2)9-18(22)5/h6-11,13H,12H2,1-5H3,(H,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19501205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).