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

C13H10BrNO3S — CID 1244355

IUPAC5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)s1
InChIInChI=1S/C13H10BrNO3S/c14-12-4-3-11(19-12)13(16)15-8-1-2-9-10(7-8)18-6-5-17-9/h1-4,7H,5-6H2,(H,15,16)
InChIKeyNWYDYWIKCRKCTG-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.53
Rot. Bonds2

About 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide

5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide (PubChem CID 1244355) has the molecular formula C13H10BrNO3S and a molecular weight of 340.20 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
PubChem CID1244355
Molecular FormulaC13H10BrNO3S
Molecular Weight340.20 g/mol
Exact Mass338.96
IUPAC Name5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)s1
InChIInChI=1S/C13H10BrNO3S/c14-12-4-3-11(19-12)13(16)15-8-1-2-9-10(7-8)18-6-5-17-9/h1-4,7H,5-6H2,(H,15,16)
InChIKeyNWYDYWIKCRKCTG-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

N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 670502
N-(Benzo[d][1,3]dioxol-5-yl)thiophene-2-carboxamide
CID 692194
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
N-(1,3-benzodioxol-5-yl)-5-bromothiophene-2-carboxamide
CID 1225746
N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)thiophene-2-carboxamide
CID 2810390
Thiophene-2-carboxylic acid (3-hydroxy-4-methoxy-phenyl)-amide
CID 655048
N-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenecarboxamide
CID 852871
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-2-carboxamide
CID 1433190
Thiophene-2-carboxylic acid {[(tert-butylcarbamoyl-methyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-carbamoyl]-methyl}-amide
CID 3215627
N~2~-[(5-bromothien-2-yl)sulfonyl]-N~1~-2,3-dihydro-1,4-benzodioxin-6-ylglycinamide
CID 3236287
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide
CID 4012023
Thiophene-2-carboxylic acid {[cyclopentylcarbamoylmethyl-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-carbamoyl]-methyl}-amide
CID 3211162

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide (CID 1244355) is 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
The InChIKey is NWYDYWIKCRKCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3S/c14-12-4-3-11(19-12)13(16)15-8-1-2-9-10(7-8)18-6-5-17-9/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide?
5-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 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1244355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).