4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide

C20H16F3NO2S — CID 100700044

IUPAC4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C20H16F3NO2S/c21-20(22,23)19(26,17-4-2-1-3-5-17)13-24-18(25)15-8-6-14(7-9-15)16-10-11-27-12-16/h1-12,26H,13H2,(H,24,25)/t19-/m1/s1
InChIKeyGNVCQYKOWVDORS-LJQANCHMSA-N
MW391.41 g/mol
LogP4.59
Rot. Bonds5

About 4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide

4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide (PubChem CID 100700044) has the molecular formula C20H16F3NO2S and a molecular weight of 391.41 g/mol. Its IUPAC name is 4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide
PubChem CID100700044
Molecular FormulaC20H16F3NO2S
Molecular Weight391.41 g/mol
Exact Mass391.09
IUPAC Name4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C20H16F3NO2S/c21-20(22,23)19(26,17-4-2-1-3-5-17)13-24-18(25)15-8-6-14(7-9-15)16-10-11-27-12-16/h1-12,26H,13H2,(H,24,25)/t19-/m1/s1
InChIKeyGNVCQYKOWVDORS-LJQANCHMSA-N
XLogP4.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-thiophen-3-ylbenzamide
CID 100701158
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide
CID 129354528
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
N-butyl-4-thiophen-3-ylbenzamide
CID 155529683
1-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 119769244
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide
CID 95367365
(2S)-3-(4-thiophen-3-ylphenyl)-2-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 58717876
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
(2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 129433214
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 95367357

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
The IUPAC name of 4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide (CID 100700044) is 4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide.
What is the SMILES notation for 4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
The canonical SMILES for 4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide is O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of 4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
The InChIKey is GNVCQYKOWVDORS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16F3NO2S/c21-20(22,23)19(26,17-4-2-1-3-5-17)13-24-18(25)15-8-6-14(7-9-15)16-10-11-27-12-16/h1-12,26H,13H2,(H,24,25)/t19-/m1/s1.
What are the key properties of 4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide has a molecular weight of 391.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide is sourced from PubChem (CID 100700044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).