5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C17H19NO4S — CID 24552661

IUPAC5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)N(C)C(C)c2cccs2)cc2c1OCCO2
InChIInChI=1S/C17H19NO4S/c1-11(15-5-4-8-23-15)18(2)17(19)12-9-13(20-3)16-14(10-12)21-6-7-22-16/h4-5,8-11H,6-7H2,1-3H3
InChIKeyANCQNZKQYJLYPG-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.36
Rot. Bonds4

About 5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 24552661) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID24552661
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)N(C)C(C)c2cccs2)cc2c1OCCO2
InChIInChI=1S/C17H19NO4S/c1-11(15-5-4-8-23-15)18(2)17(19)12-9-13(20-3)16-14(10-12)21-6-7-22-16/h4-5,8-11H,6-7H2,1-3H3
InChIKeyANCQNZKQYJLYPG-UHFFFAOYSA-N
XLogP3.36
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17413559
5-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51201405
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27787649
2-[butan-2-yl-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]acetic acid
CID 119954487
N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 107025969
N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
5-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 87047293
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 51074800
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-(3,3-dimethylbutan-2-yl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56805258
N-cyclopropyl-5-methoxy-N-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9479276

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 24552661) is 5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)N(C)C(C)c2cccs2)cc2c1OCCO2.
What is the InChIKey of 5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is ANCQNZKQYJLYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-11(15-5-4-8-23-15)18(2)17(19)12-9-13(20-3)16-14(10-12)21-6-7-22-16/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of 5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 24552661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).