N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide

C19H11F6NO2S — CID 2741937

IUPACN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cccs1
InChIInChI=1S/C19H11F6NO2S/c20-18(21,22)11-8-12(19(23,24)25)10-15(9-11)28-14-5-3-13(4-6-14)26-17(27)16-2-1-7-29-16/h1-10H,(H,26,27)
InChIKeyTUDYSWAVPKXCJE-UHFFFAOYSA-N
MW431.36 g/mol
LogP6.83
Rot. Bonds4

About N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide

N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide (PubChem CID 2741937) has the molecular formula C19H11F6NO2S and a molecular weight of 431.36 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide
PubChem CID2741937
Molecular FormulaC19H11F6NO2S
Molecular Weight431.36 g/mol
Exact Mass431.04
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cccs1
InChIInChI=1S/C19H11F6NO2S/c20-18(21,22)11-8-12(19(23,24)25)10-15(9-11)28-14-5-3-13(4-6-14)26-17(27)16-2-1-7-29-16/h1-10H,(H,26,27)
InChIKeyTUDYSWAVPKXCJE-UHFFFAOYSA-N
XLogP6.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide (CID 2741937) is N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cccs1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide?
The InChIKey is TUDYSWAVPKXCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6NO2S/c20-18(21,22)11-8-12(19(23,24)25)10-15(9-11)28-14-5-3-13(4-6-14)26-17(27)16-2-1-7-29-16/h1-10H,(H,26,27).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide?
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide has a molecular weight of 431.36 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2741937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).