N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide

C13H11F2NO2S — CID 111451534

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1cccs1
InChIInChI=1S/C13H11F2NO2S/c14-8-3-1-4-9(15)12(8)10(17)7-16-13(18)11-5-2-6-19-11/h1-6,10,17H,7H2,(H,16,18)
InChIKeyVGSVZLFOHFSPFM-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.49
Rot. Bonds4

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide (PubChem CID 111451534) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
PubChem CID111451534
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1cccs1
InChIInChI=1S/C13H11F2NO2S/c14-8-3-1-4-9(15)12(8)10(17)7-16-13(18)11-5-2-6-19-11/h1-6,10,17H,7H2,(H,16,18)
InChIKeyVGSVZLFOHFSPFM-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94290696
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852656
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
CID 111451257
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94317247
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-hydroxy-5-methylbenzamide
CID 111451372

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide (CID 111451534) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide is O=C(NCC(O)c1c(F)cccc1F)c1cccs1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide?
The InChIKey is VGSVZLFOHFSPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c14-8-3-1-4-9(15)12(8)10(17)7-16-13(18)11-5-2-6-19-11/h1-6,10,17H,7H2,(H,16,18).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide is sourced from PubChem (CID 111451534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).