N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide

C15H16N2O4S — CID 16930034

IUPACN-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
SMILESCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccco3)cc2C1
InChIInChI=1S/C15H16N2O4S/c1-22(19,20)17-7-6-11-4-5-13(9-12(11)10-17)16-15(18)14-3-2-8-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,16,18)
InChIKeyMRLQNSCDWMTSSG-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.85
Rot. Bonds3

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

N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide (PubChem CID 16930034) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
PubChem CID16930034
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
SMILESCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccco3)cc2C1
InChIInChI=1S/C15H16N2O4S/c1-22(19,20)17-7-6-11-4-5-13(9-12(11)10-17)16-15(18)14-3-2-8-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,16,18)
InChIKeyMRLQNSCDWMTSSG-UHFFFAOYSA-N
XLogP1.85
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide
CID 16930286
N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930619
3-methyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930082
3-bromo-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930045
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878
3-chloro-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930051
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide
CID 110461172
1-tert-butyl-3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 110664308
5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid
CID 138520836
N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitrobenzamide
CID 16929983
N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide
CID 16929978

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide?
The IUPAC name of N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide (CID 16930034) is N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide is CS(=O)(=O)N1CCc2ccc(NC(=O)c3ccco3)cc2C1.
What is the InChIKey of N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide?
The InChIKey is MRLQNSCDWMTSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-22(19,20)17-7-6-11-4-5-13(9-12(11)10-17)16-15(18)14-3-2-8-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,16,18).
What are the key properties of N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide?
N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide is sourced from PubChem (CID 16930034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).