N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide

C13H10BrNO3S — CID 852871

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)c1cccs1
InChIInChI=1S/C13H10BrNO3S/c14-8-6-10-11(18-4-3-17-10)7-9(8)15-13(16)12-2-1-5-19-12/h1-2,5-7H,3-4H2,(H,15,16)
InChIKeyIPXNUUZMZKXWFB-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.53
Rot. Bonds2

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide (PubChem CID 852871) has the molecular formula C13H10BrNO3S and a molecular weight of 340.20 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
PubChem CID852871
Molecular FormulaC13H10BrNO3S
Molecular Weight340.20 g/mol
Exact Mass338.96
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)c1cccs1
InChIInChI=1S/C13H10BrNO3S/c14-8-6-10-11(18-4-3-17-10)7-9(8)15-13(16)12-2-1-5-19-12/h1-2,5-7H,3-4H2,(H,15,16)
InChIKeyIPXNUUZMZKXWFB-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-(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
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 1244355
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylthiophene-2-carboxamide
CID 4012023
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-thiophenecarboxamide
CID 6460151
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylthiophene-3-carboxamide
CID 1246776
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-2-thiophenecarboxamide
CID 1245134
3-Bromo-N-(4-ethoxyphenyl)-2-thiophenecarboxamide
CID 24212604
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 43548178
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide
CID 1078403
N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide
CID 2810090

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide (CID 852871) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide is O=C(Nc1cc2c(cc1Br)OCCO2)c1cccs1.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide?
The InChIKey is IPXNUUZMZKXWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3S/c14-8-6-10-11(18-4-3-17-10)7-9(8)15-13(16)12-2-1-5-19-12/h1-2,5-7H,3-4H2,(H,15,16).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-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 N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide is sourced from PubChem (CID 852871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).