N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide

C13H7Cl2NO2S2 — CID 107675579

IUPACN-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1cc2sccc2s1
InChIInChI=1S/C13H7Cl2NO2S2/c14-6-3-7(15)12(17)8(4-6)16-13(18)11-5-10-9(20-11)1-2-19-10/h1-5,17H,(H,16,18)
InChIKeyFJGAGDDDRCNDAL-UHFFFAOYSA-N
MW344.24 g/mol
LogP5.23
Rot. Bonds2

About N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide

N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 107675579) has the molecular formula C13H7Cl2NO2S2 and a molecular weight of 344.24 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID107675579
Molecular FormulaC13H7Cl2NO2S2
Molecular Weight344.24 g/mol
Exact Mass342.93
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1cc2sccc2s1
InChIInChI=1S/C13H7Cl2NO2S2/c14-6-3-7(15)12(17)8(4-6)16-13(18)11-5-10-9(20-11)1-2-19-10/h1-5,17H,(H,16,18)
InChIKeyFJGAGDDDRCNDAL-UHFFFAOYSA-N
XLogP5.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78955049
N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 107808445
5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722230
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113252495
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
5-iodo-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723029
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166
N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 154852926
5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722215
5-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722706
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide (CID 107675579) is N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1O)c1cc2sccc2s1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is FJGAGDDDRCNDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO2S2/c14-6-3-7(15)12(17)8(4-6)16-13(18)11-5-10-9(20-11)1-2-19-10/h1-5,17H,(H,16,18).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 344.24 g/mol, XLogP of 5.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 107675579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).