N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide

C20H24N2O3S — CID 119730268

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(CN(C(=O)CC2CCCN2)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C20H24N2O3S/c1-14-4-6-17(26-14)13-22(20(23)11-15-3-2-8-21-15)16-5-7-18-19(12-16)25-10-9-24-18/h4-7,12,15,21H,2-3,8-11,13H2,1H3
InChIKeyCVCGKBIWIJAYKC-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.50
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119730268) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119730268
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(CN(C(=O)CC2CCCN2)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C20H24N2O3S/c1-14-4-6-17(26-14)13-22(20(23)11-15-3-2-8-21-15)16-5-7-18-19(12-16)25-10-9-24-18/h4-7,12,15,21H,2-3,8-11,13H2,1H3
InChIKeyCVCGKBIWIJAYKC-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide (CID 119730268) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide is Cc1ccc(CN(C(=O)CC2CCCN2)c2ccc3c(c2)OCCO3)s1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is CVCGKBIWIJAYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-4-6-17(26-14)13-22(20(23)11-15-3-2-8-21-15)16-5-7-18-19(12-16)25-10-9-24-18/h4-7,12,15,21H,2-3,8-11,13H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 372.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119730268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).