N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide

C15H14F3NO3S — CID 94678499

IUPACN-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C15H14F3NO3S/c16-15(17,18)10-3-5-12(6-4-10)22-9-11(20)8-19-14(21)13-2-1-7-23-13/h1-7,11,20H,8-9H2,(H,19,21)/t11-/m1/s1
InChIKeyFXXAPXZXBNLPDO-LLVKDONJSA-N
MW345.34 g/mol
LogP2.94
Rot. Bonds6

About N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide

N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide (PubChem CID 94678499) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide
PubChem CID94678499
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC NameN-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C15H14F3NO3S/c16-15(17,18)10-3-5-12(6-4-10)22-9-11(20)8-19-14(21)13-2-1-7-23-13/h1-7,11,20H,8-9H2,(H,19,21)/t11-/m1/s1
InChIKeyFXXAPXZXBNLPDO-LLVKDONJSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-[[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 60583690
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 60583885
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
1-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 52501992
2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 119751737
2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
CID 120590377
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
CID 94678482
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide (CID 94678499) is N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide is O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cccs1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide?
The InChIKey is FXXAPXZXBNLPDO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c16-15(17,18)10-3-5-12(6-4-10)22-9-11(20)8-19-14(21)13-2-1-7-23-13/h1-7,11,20H,8-9H2,(H,19,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide?
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide has a molecular weight of 345.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 94678499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).