N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

C13H13F2NO2S — CID 107483218

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1cc2ccccc2s1)N(CCO)CC(F)F
InChIInChI=1S/C13H13F2NO2S/c14-12(15)8-16(5-6-17)13(18)11-7-9-3-1-2-4-10(9)19-11/h1-4,7,12,17H,5-6,8H2
InChIKeyPCGLOUYJVMYDKR-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.60
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (PubChem CID 107483218) has the molecular formula C13H13F2NO2S and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
PubChem CID107483218
Molecular FormulaC13H13F2NO2S
Molecular Weight285.31 g/mol
Exact Mass285.06
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1cc2ccccc2s1)N(CCO)CC(F)F
InChIInChI=1S/C13H13F2NO2S/c14-12(15)8-16(5-6-17)13(18)11-7-9-3-1-2-4-10(9)19-11/h1-4,7,12,17H,5-6,8H2
InChIKeyPCGLOUYJVMYDKR-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (CID 107483218) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is O=C(c1cc2ccccc2s1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is PCGLOUYJVMYDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2S/c14-12(15)8-16(5-6-17)13(18)11-7-9-3-1-2-4-10(9)19-11/h1-4,7,12,17H,5-6,8H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107483218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).