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

C11H7Br2NOS2 — CID 107604210

IUPACN-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(Nc1c(Br)cccc1Br)c1cc(S)cs1
InChIInChI=1S/C11H7Br2NOS2/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)
InChIKeyUPKSVTXMZPWIPZ-UHFFFAOYSA-N
MW393.13 g/mol
LogP4.81
Rot. Bonds2

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

N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107604210) has the molecular formula C11H7Br2NOS2 and a molecular weight of 393.13 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107604210
Molecular FormulaC11H7Br2NOS2
Molecular Weight393.13 g/mol
Exact Mass390.83
IUPAC NameN-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(Nc1c(Br)cccc1Br)c1cc(S)cs1
InChIInChI=1S/C11H7Br2NOS2/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)
InChIKeyUPKSVTXMZPWIPZ-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.13
LogP ≤ 54.81
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-difluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107022105
N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107020649
N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107580400
N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107021690
N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide
CID 107022248
N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030604
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
3-bromo-2-(thiophene-2-carbonylamino)benzoic acid
CID 63113001
N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide
CID 17173176
4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
CID 107600670
N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107033219

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide (CID 107604210) is N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide is O=C(Nc1c(Br)cccc1Br)c1cc(S)cs1.
What is the InChIKey of N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is UPKSVTXMZPWIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NOS2/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-dibromophenyl)-4-sulfanylthiophene-2-carboxamide?
N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 393.13 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107604210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).