N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C15H12F3NO3S — CID 25023799

IUPACN-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C15H12F3NO3S/c1-22-10-4-2-9(3-5-10)8-19-14(21)12-7-6-11(23-12)13(20)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)
InChIKeyKWIVOWDCZJOCGU-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.43
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 25023799) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID25023799
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C15H12F3NO3S/c1-22-10-4-2-9(3-5-10)8-19-14(21)12-7-6-11(23-12)13(20)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)
InChIKeyKWIVOWDCZJOCGU-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 25023799) is N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is COc1ccc(CNC(=O)c2ccc(C(=O)C(F)(F)F)s2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is KWIVOWDCZJOCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c1-22-10-4-2-9(3-5-10)8-19-14(21)12-7-6-11(23-12)13(20)15(16,17)18/h2-7H,8H2,1H3,(H,19,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 25023799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).