N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide

C16H15F2NO2S — CID 71781711

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide
SMILESO=C(NCC(O)(c1cccs1)C1CC1)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO2S/c17-11-3-1-4-12(18)14(11)15(20)19-9-16(21,10-6-7-10)13-5-2-8-22-13/h1-5,8,10,21H,6-7,9H2,(H,19,20)
InChIKeyNRGNKEIEOKETPD-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.05
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide (PubChem CID 71781711) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide
PubChem CID71781711
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide
SMILESO=C(NCC(O)(c1cccs1)C1CC1)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO2S/c17-11-3-1-4-12(18)14(11)15(20)19-9-16(21,10-6-7-10)13-5-2-8-22-13/h1-5,8,10,21H,6-7,9H2,(H,19,20)
InChIKeyNRGNKEIEOKETPD-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide (CID 71781711) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide is O=C(NCC(O)(c1cccs1)C1CC1)c1c(F)cccc1F.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide?
The InChIKey is NRGNKEIEOKETPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c17-11-3-1-4-12(18)14(11)15(20)19-9-16(21,10-6-7-10)13-5-2-8-22-13/h1-5,8,10,21H,6-7,9H2,(H,19,20).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide has a molecular weight of 323.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,6-difluorobenzamide is sourced from PubChem (CID 71781711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).