N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide

C16H12F5NO3S — CID 25023806

IUPACN-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(=O)C(F)(F)C(F)(F)F)s2)cc1
InChIInChI=1S/C16H12F5NO3S/c1-25-10-4-2-9(3-5-10)8-22-14(24)12-7-6-11(26-12)13(23)15(17,18)16(19,20)21/h2-7H,8H2,1H3,(H,22,24)
InChIKeyXOEOCUIIYZMEPG-UHFFFAOYSA-N
MW393.33 g/mol
LogP4.07
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide

N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide (PubChem CID 25023806) has the molecular formula C16H12F5NO3S and a molecular weight of 393.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide
PubChem CID25023806
Molecular FormulaC16H12F5NO3S
Molecular Weight393.33 g/mol
Exact Mass393.05
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(=O)C(F)(F)C(F)(F)F)s2)cc1
InChIInChI=1S/C16H12F5NO3S/c1-25-10-4-2-9(3-5-10)8-22-14(24)12-7-6-11(26-12)13(23)15(17,18)16(19,20)21/h2-7H,8H2,1H3,(H,22,24)
InChIKeyXOEOCUIIYZMEPG-UHFFFAOYSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide (CID 25023806) is N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide is COc1ccc(CNC(=O)c2ccc(C(=O)C(F)(F)C(F)(F)F)s2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide?
The InChIKey is XOEOCUIIYZMEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5NO3S/c1-25-10-4-2-9(3-5-10)8-22-14(24)12-7-6-11(26-12)13(23)15(17,18)16(19,20)21/h2-7H,8H2,1H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide has a molecular weight of 393.33 g/mol, XLogP of 4.07, 6 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-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide is sourced from PubChem (CID 25023806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).