N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide

C14H13NO3S — CID 1078403

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13NO3S/c16-14(9-11-2-1-7-19-11)15-10-3-4-12-13(8-10)18-6-5-17-12/h1-4,7-8H,5-6,9H2,(H,15,16)
InChIKeyCAVHQYWHQQYNOD-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.70
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide (PubChem CID 1078403) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide
PubChem CID1078403
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13NO3S/c16-14(9-11-2-1-7-19-11)15-10-3-4-12-13(8-10)18-6-5-17-12/h1-4,7-8H,5-6,9H2,(H,15,16)
InChIKeyCAVHQYWHQQYNOD-UHFFFAOYSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylsulfanylacetamide
CID 2121892
N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
CID 2478312
3-[(2-Aminophenyl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 2731588
N-(4,5-dimethoxy-2-methylphenyl)-2-thiophen-3-ylacetamide
CID 7751189
N-(3-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 898929
N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)thiophene-2-carboxamide
CID 2810390
N-2,3-dihydro-1,4-benzodioxin-6-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3245817
9-(2-thienyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2962890

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide (CID 1078403) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide?
The InChIKey is CAVHQYWHQQYNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-14(9-11-2-1-7-19-11)15-10-3-4-12-13(8-10)18-6-5-17-12/h1-4,7-8H,5-6,9H2,(H,15,16).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide has a molecular weight of 275.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1078403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).