N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide

C19H16F3NO2S — CID 99980061

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide
SMILESC[C@](O)(CNC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2s1
InChIInChI=1S/C19H16F3NO2S/c1-18(25,16-10-12-6-2-5-9-15(12)26-16)11-23-17(24)13-7-3-4-8-14(13)19(20,21)22/h2-10,25H,11H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyOUOOBZHXUAHECK-SFHVURJKSA-N
MW379.40 g/mol
LogP4.56
Rot. Bonds4

About N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide (PubChem CID 99980061) has the molecular formula C19H16F3NO2S and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide
PubChem CID99980061
Molecular FormulaC19H16F3NO2S
Molecular Weight379.40 g/mol
Exact Mass379.09
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide
SMILESC[C@](O)(CNC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2s1
InChIInChI=1S/C19H16F3NO2S/c1-18(25,16-10-12-6-2-5-9-15(12)26-16)11-23-17(24)13-7-3-4-8-14(13)19(20,21)22/h2-10,25H,11H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyOUOOBZHXUAHECK-SFHVURJKSA-N
XLogP4.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide (CID 99980061) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide is C[C@](O)(CNC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide?
The InChIKey is OUOOBZHXUAHECK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16F3NO2S/c1-18(25,16-10-12-6-2-5-9-15(12)26-16)11-23-17(24)13-7-3-4-8-14(13)19(20,21)22/h2-10,25H,11H2,1H3,(H,23,24)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide has a molecular weight of 379.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 99980061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).