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

C20H14F3NO3S — CID 67315725

IUPACN-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C20H14F3NO3S/c21-20(22,23)18(25)16-10-11-17(28-16)19(26)24-12-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-11H,12H2,(H,24,26)
InChIKeyMYRQOLRUQJHVCK-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.22
Rot. Bonds6

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

N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67315725) has the molecular formula C20H14F3NO3S and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67315725
Molecular FormulaC20H14F3NO3S
Molecular Weight405.40 g/mol
Exact Mass405.06
IUPAC NameN-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C20H14F3NO3S/c21-20(22,23)18(25)16-10-11-17(28-16)19(26)24-12-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-11H,12H2,(H,24,26)
InChIKeyMYRQOLRUQJHVCK-UHFFFAOYSA-N
XLogP5.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 135309187
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
2-oxo-N-[(4-phenoxyphenyl)methyl]acetamide
CID 115166211
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 70693464
3-chloro-6-fluoro-N-[(4-phenoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 46081901
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 52670386
N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60618920
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
CID 43358625

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67315725) is N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is MYRQOLRUQJHVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO3S/c21-20(22,23)18(25)16-10-11-17(28-16)19(26)24-12-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-11H,12H2,(H,24,26).
What are the key properties of N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67315725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).