methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate

C15H12F3NO3S — CID 15376684

IUPACmethyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C15H12F3NO3S/c1-22-12(20)8-19-14(21)11-7-10(9-5-3-2-4-6-9)13(23-11)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)
InChIKeyCOLDHLXULHSZDR-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.34
Rot. Bonds4

About methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate

methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate (PubChem CID 15376684) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate
PubChem CID15376684
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Namemethyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C15H12F3NO3S/c1-22-12(20)8-19-14(21)11-7-10(9-5-3-2-4-6-9)13(23-11)15(16,17)18/h2-7H,8H2,1H3,(H,19,21)
InChIKeyCOLDHLXULHSZDR-UHFFFAOYSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate (CID 15376684) is methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate?
The InChIKey is COLDHLXULHSZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c1-22-12(20)8-19-14(21)11-7-10(9-5-3-2-4-6-9)13(23-11)15(16,17)18/h2-7H,8H2,1H3,(H,19,21).
What are the key properties of methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate?
methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate has a molecular weight of 343.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate is sourced from PubChem (CID 15376684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).