N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide

C17H24N2O4S — CID 24791865

IUPACN-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide
SMILESCCCS(=O)(=O)N1CCc2ccc(NC(=O)C3CCCO3)cc2C1
InChIInChI=1S/C17H24N2O4S/c1-2-10-24(21,22)19-8-7-13-5-6-15(11-14(13)12-19)18-17(20)16-4-3-9-23-16/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,18,20)
InChIKeyAOOFNQJCSVUYBP-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.90
Rot. Bonds5

About N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide

N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide (PubChem CID 24791865) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide
PubChem CID24791865
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide
SMILESCCCS(=O)(=O)N1CCc2ccc(NC(=O)C3CCCO3)cc2C1
InChIInChI=1S/C17H24N2O4S/c1-2-10-24(21,22)19-8-7-13-5-6-15(11-14(13)12-19)18-17(20)16-4-3-9-23-16/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,18,20)
InChIKeyAOOFNQJCSVUYBP-UHFFFAOYSA-N
XLogP1.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide?
The IUPAC name of N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide (CID 24791865) is N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide is CCCS(=O)(=O)N1CCc2ccc(NC(=O)C3CCCO3)cc2C1.
What is the InChIKey of N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide?
The InChIKey is AOOFNQJCSVUYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-2-10-24(21,22)19-8-7-13-5-6-15(11-14(13)12-19)18-17(20)16-4-3-9-23-16/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,18,20).
What are the key properties of N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide?
N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide is sourced from PubChem (CID 24791865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).