N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide

C11H7F2NOS2 — CID 107022105

IUPACN-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc(S)cs1
InChIInChI=1S/C11H7F2NOS2/c12-7-2-1-3-8(13)10(7)14-11(15)9-4-6(16)5-17-9/h1-5,16H,(H,14,15)
InChIKeyLEUUERKKABDOFP-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.57
Rot. Bonds2

About N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide

N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107022105) has the molecular formula C11H7F2NOS2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107022105
Molecular FormulaC11H7F2NOS2
Molecular Weight271.31 g/mol
Exact Mass270.99
IUPAC NameN-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc(S)cs1
InChIInChI=1S/C11H7F2NOS2/c12-7-2-1-3-8(13)10(7)14-11(15)9-4-6(16)5-17-9/h1-5,16H,(H,14,15)
InChIKeyLEUUERKKABDOFP-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107604210
N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107032493
N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide
CID 107022248
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-(2,6-difluorophenyl)-4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]thiophene-2-carboxamide
CID 57331081
N-(2-chloro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107026835
[4-(2-fluorophenyl)piperazin-1-yl]-(4-sulfanylthiophen-2-yl)methanone
CID 107023625
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide
CID 107020171
N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide (CID 107022105) is N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide is O=C(Nc1c(F)cccc1F)c1cc(S)cs1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is LEUUERKKABDOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NOS2/c12-7-2-1-3-8(13)10(7)14-11(15)9-4-6(16)5-17-9/h1-5,16H,(H,14,15).
What are the key properties of N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide?
N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 271.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107022105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).