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

C19H15F3N2OS — CID 118707061

IUPACN-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(NCc2ccccc2)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C19H15F3N2OS/c20-19(21,22)14-9-15(23-12-13-5-2-1-3-6-13)11-16(10-14)24-18(25)17-7-4-8-26-17/h1-11,23H,12H2,(H,24,25)
InChIKeyASHUQWDHMIZJFH-UHFFFAOYSA-N
MW376.40 g/mol
LogP5.63
Rot. Bonds5

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

N-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 118707061) has the molecular formula C19H15F3N2OS and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID118707061
Molecular FormulaC19H15F3N2OS
Molecular Weight376.40 g/mol
Exact Mass376.09
IUPAC NameN-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(NCc2ccccc2)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C19H15F3N2OS/c20-19(21,22)14-9-15(23-12-13-5-2-1-3-6-13)11-16(10-14)24-18(25)17-7-4-8-26-17/h1-11,23H,12H2,(H,24,25)
InChIKeyASHUQWDHMIZJFH-UHFFFAOYSA-N
XLogP5.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.40
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 118707061) is N-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(NCc2ccccc2)cc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is ASHUQWDHMIZJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2OS/c20-19(21,22)14-9-15(23-12-13-5-2-1-3-6-13)11-16(10-14)24-18(25)17-7-4-8-26-17/h1-11,23H,12H2,(H,24,25).
What are the key properties of N-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 118707061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).