N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide

C18H14F3NO2S — CID 91630840

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3NO2S/c19-18(20,21)14-7-3-1-6-12(14)17(24)22-9-15(23)13-10-25-16-8-4-2-5-11(13)16/h1-8,10,15,23H,9H2,(H,22,24)
InChIKeyXRFYCWPVILXCCC-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.38
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide (PubChem CID 91630840) has the molecular formula C18H14F3NO2S and a molecular weight of 365.38 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
PubChem CID91630840
Molecular FormulaC18H14F3NO2S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3NO2S/c19-18(20,21)14-7-3-1-6-12(14)17(24)22-9-15(23)13-10-25-16-8-4-2-5-11(13)16/h1-8,10,15,23H,9H2,(H,22,24)
InChIKeyXRFYCWPVILXCCC-UHFFFAOYSA-N
XLogP4.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide (CID 91630840) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide is O=C(NCC(O)c1csc2ccccc12)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is XRFYCWPVILXCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2S/c19-18(20,21)14-7-3-1-6-12(14)17(24)22-9-15(23)13-10-25-16-8-4-2-5-11(13)16/h1-8,10,15,23H,9H2,(H,22,24).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 365.38 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 91630840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).