3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide

C13H10BrNO3S — CID 47220492

IUPAC3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1sccc1Br
InChIInChI=1S/C13H10BrNO3S/c14-9-3-6-19-12(9)13(16)15-8-1-2-10-11(7-8)18-5-4-17-10/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyBIAHWDLFRZIGEY-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.53
Rot. Bonds2

About 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide

3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide (PubChem CID 47220492) has the molecular formula C13H10BrNO3S and a molecular weight of 340.20 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
PubChem CID47220492
Molecular FormulaC13H10BrNO3S
Molecular Weight340.20 g/mol
Exact Mass338.96
IUPAC Name3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1sccc1Br
InChIInChI=1S/C13H10BrNO3S/c14-9-3-6-19-12(9)13(16)15-8-1-2-10-11(7-8)18-5-4-17-10/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyBIAHWDLFRZIGEY-UHFFFAOYSA-N
XLogP3.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
CID 47233334
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide
CID 61092118
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-propan-2-ylthiophene-2-carboxamide
CID 60567376
3-amino-4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 61095483
5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 63802750
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4H-thieno[3,2-b]pyrrole-5-carbonylamino)urea
CID 46260750
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678
(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 63797718
1-(4-bromo-3-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 110372026

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide (CID 47220492) is 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The InChIKey is BIAHWDLFRZIGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3S/c14-9-3-6-19-12(9)13(16)15-8-1-2-10-11(7-8)18-5-4-17-10/h1-3,6-7H,4-5H2,(H,15,16).
What are the key properties of 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide has a molecular weight of 340.20 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 47220492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).