2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide

C16H16BrNO3S — CID 55387581

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1cc2c(cc1Br)OCCO2)NCCc1cccs1
InChIInChI=1S/C16H16BrNO3S/c17-13-10-15-14(20-5-6-21-15)8-11(13)9-16(19)18-4-3-12-2-1-7-22-12/h1-2,7-8,10H,3-6,9H2,(H,18,19)
InChIKeyYFIUNCXIVITSFD-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.18
Rot. Bonds5

About 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 55387581) has the molecular formula C16H16BrNO3S and a molecular weight of 382.28 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID55387581
Molecular FormulaC16H16BrNO3S
Molecular Weight382.28 g/mol
Exact Mass381.00
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1cc2c(cc1Br)OCCO2)NCCc1cccs1
InChIInChI=1S/C16H16BrNO3S/c17-13-10-15-14(20-5-6-21-15)8-11(13)9-16(19)18-4-3-12-2-1-7-22-12/h1-2,7-8,10H,3-6,9H2,(H,18,19)
InChIKeyYFIUNCXIVITSFD-UHFFFAOYSA-N
XLogP3.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-thiophen-2-ylethanamine
CID 43392051
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 53352132
2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 47449504
2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 110674862
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 113362373
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110615618

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide (CID 55387581) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide is O=C(Cc1cc2c(cc1Br)OCCO2)NCCc1cccs1.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is YFIUNCXIVITSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S/c17-13-10-15-14(20-5-6-21-15)8-11(13)9-16(19)18-4-3-12-2-1-7-22-12/h1-2,7-8,10H,3-6,9H2,(H,18,19).
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 382.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 55387581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).