1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C19H20N2O4S — CID 4827281

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C19H20N2O4S/c1-20(12-15-3-2-8-26-15)19(23)13-9-18(22)21(11-13)14-4-5-16-17(10-14)25-7-6-24-16/h2-5,8,10,13H,6-7,9,11-12H2,1H3
InChIKeyWIZSWZFMYHNZEB-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.53
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 4827281) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID4827281
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C19H20N2O4S/c1-20(12-15-3-2-8-26-15)19(23)13-9-18(22)21(11-13)14-4-5-16-17(10-14)25-7-6-24-16/h2-5,8,10,13H,6-7,9,11-12H2,1H3
InChIKeyWIZSWZFMYHNZEB-UHFFFAOYSA-N
XLogP2.53
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Aminophenyl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 2731588
N-2,3-dihydro-1,4-benzodioxin-6-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3245817
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4961817
2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 666747
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylphenyl)sulfanyl]pyrrolidine-2,5-dione
CID 2950696
Thiophene-2-carboxylic acid {[(tert-butylcarbamoyl-methyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-carbamoyl]-methyl}-amide
CID 3215627
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-N'-[(1,1-dimethyl-propylcarbamoyl)-methyl]-N'-thiophen-2-ylmethyl-oxalamide
CID 3221308
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 3235901
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 16822474
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6494526
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 4785346
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16551345

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 4827281) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is CN(Cc1cccs1)C(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is WIZSWZFMYHNZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-20(12-15-3-2-8-26-15)19(23)13-9-18(22)21(11-13)14-4-5-16-17(10-14)25-7-6-24-16/h2-5,8,10,13H,6-7,9,11-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4827281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).