2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide

C18H21N3O4S — CID 77305603

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1NNCC1N(Cc1cccs1)C(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C18H21N3O4S/c1-12-15(8-19-20-12)21(9-14-3-2-6-26-14)18(22)10-23-13-4-5-16-17(7-13)25-11-24-16/h2-7,12,15,19-20H,8-11H2,1H3
InChIKeyVWHIQOCUGBXYMI-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.75
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 77305603) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID77305603
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1NNCC1N(Cc1cccs1)C(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C18H21N3O4S/c1-12-15(8-19-20-12)21(9-14-3-2-6-26-14)18(22)10-23-13-4-5-16-17(7-13)25-11-24-16/h2-7,12,15,19-20H,8-11H2,1H3
InChIKeyVWHIQOCUGBXYMI-UHFFFAOYSA-N
XLogP1.75
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 67516345
2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide
CID 118492311
5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-thiophen-2-ylethyl)pyrazolidine-3-carboxamide
CID 74809678
2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide
CID 17310206
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
(E)-3-(1,3-benzodioxol-5-yl)-N-pyrazolidin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 122412836
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 55383165
N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90496022
2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide
CID 112978300
2-[acetyl(cyclopropyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 4164485
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
N-(1,4-diazaspiro[5.9]pentadecan-3-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 134298205

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 77305603) is 2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is CC1NNCC1N(Cc1cccs1)C(=O)COc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VWHIQOCUGBXYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12-15(8-19-20-12)21(9-14-3-2-6-26-14)18(22)10-23-13-4-5-16-17(7-13)25-11-24-16/h2-7,12,15,19-20H,8-11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 375.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 77305603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).