N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C20H17F3N2OS — CID 118707062

IUPACN-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(NCCc2ccccc2)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C20H17F3N2OS/c21-20(22,23)15-11-16(24-9-8-14-5-2-1-3-6-14)13-17(12-15)25-19(26)18-7-4-10-27-18/h1-7,10-13,24H,8-9H2,(H,25,26)
InChIKeyUVBNFRHQCIVIHZ-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.67
Rot. Bonds6

About N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 118707062) has the molecular formula C20H17F3N2OS and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID118707062
Molecular FormulaC20H17F3N2OS
Molecular Weight390.43 g/mol
Exact Mass390.10
IUPAC NameN-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(NCCc2ccccc2)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C20H17F3N2OS/c21-20(22,23)15-11-16(24-9-8-14-5-2-1-3-6-14)13-17(12-15)25-19(26)18-7-4-10-27-18/h1-7,10-13,24H,8-9H2,(H,25,26)
InChIKeyUVBNFRHQCIVIHZ-UHFFFAOYSA-N
XLogP5.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 118707062) is N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(NCCc2ccccc2)cc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is UVBNFRHQCIVIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2OS/c21-20(22,23)15-11-16(24-9-8-14-5-2-1-3-6-14)13-17(12-15)25-19(26)18-7-4-10-27-18/h1-7,10-13,24H,8-9H2,(H,25,26).
What are the key properties of N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 390.43 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 118707062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).