N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide

C17H18F3NO3S — CID 78777792

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C17H18F3NO3S/c1-10-8-15(25-11(10)2)16(22)21-13-9-12(17(18,19)20)4-5-14(13)24-7-6-23-3/h4-5,8-9H,6-7H2,1-3H3,(H,21,22)
InChIKeyQMRILDZXNVAHSD-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.66
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 78777792) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID78777792
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C17H18F3NO3S/c1-10-8-15(25-11(10)2)16(22)21-13-9-12(17(18,19)20)4-5-14(13)24-7-6-23-3/h4-5,8-9H,6-7H2,1-3H3,(H,21,22)
InChIKeyQMRILDZXNVAHSD-UHFFFAOYSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 36667250
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532465
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 26177491
1-benzyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112765265
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide
CID 8801965
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55684800

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide (CID 78777792) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)c(C)s1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is QMRILDZXNVAHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c1-10-8-15(25-11(10)2)16(22)21-13-9-12(17(18,19)20)4-5-14(13)24-7-6-23-3/h4-5,8-9H,6-7H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 78777792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).