4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

C15H13F3N2O2S — CID 125437704

IUPAC4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-c2csc(C(N)=O)c2)cc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O2S/c1-8(15(16,17)18)20-14(22)10-4-2-9(3-5-10)11-6-12(13(19)21)23-7-11/h2-8H,1H3,(H2,19,21)(H,20,22)/t8-/m1/s1
InChIKeyFTPPVPULOGZKFU-MRVPVSSYSA-N
MW342.34 g/mol
LogP3.19
Rot. Bonds4

About 4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 125437704) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID125437704
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-c2csc(C(N)=O)c2)cc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O2S/c1-8(15(16,17)18)20-14(22)10-4-2-9(3-5-10)11-6-12(13(19)21)23-7-11/h2-8H,1H3,(H2,19,21)(H,20,22)/t8-/m1/s1
InChIKeyFTPPVPULOGZKFU-MRVPVSSYSA-N
XLogP3.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 125437704) is 4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is C[C@@H](NC(=O)c1ccc(-c2csc(C(N)=O)c2)cc1)C(F)(F)F.
What is the InChIKey of 4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is FTPPVPULOGZKFU-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-8(15(16,17)18)20-14(22)10-4-2-9(3-5-10)11-6-12(13(19)21)23-7-11/h2-8H,1H3,(H2,19,21)(H,20,22)/t8-/m1/s1.
What are the key properties of 4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 342.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 125437704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).