1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide

C15H20N2O4S — CID 139013799

IUPAC1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1CCN(S(=O)(=O)c2cccc3c2OCC3)C1
InChIInChI=1S/C15H20N2O4S/c1-16(2)15(18)12-6-8-17(10-12)22(19,20)13-5-3-4-11-7-9-21-14(11)13/h3-5,12H,6-10H2,1-2H3
InChIKeyAKQVCSDPNJFVJD-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.72
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide

1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 139013799) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID139013799
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1CCN(S(=O)(=O)c2cccc3c2OCC3)C1
InChIInChI=1S/C15H20N2O4S/c1-16(2)15(18)12-6-8-17(10-12)22(19,20)13-5-3-4-11-7-9-21-14(11)13/h3-5,12H,6-10H2,1-2H3
InChIKeyAKQVCSDPNJFVJD-UHFFFAOYSA-N
XLogP0.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide (CID 139013799) is 1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide is CN(C)C(=O)C1CCN(S(=O)(=O)c2cccc3c2OCC3)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is AKQVCSDPNJFVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-16(2)15(18)12-6-8-17(10-12)22(19,20)13-5-3-4-11-7-9-21-14(11)13/h3-5,12H,6-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide?
1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 139013799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).