N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide

C19H19N3O3S — CID 110342802

IUPACN-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H19N3O3S/c20-13-16-6-3-4-8-18(16)21-19(23)10-12-26(24,25)22-11-9-15-5-1-2-7-17(15)14-22/h1-8H,9-12,14H2,(H,21,23)
InChIKeyIDKHHUOAXFSWMF-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.27
Rot. Bonds5

About N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide

N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide (PubChem CID 110342802) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide
PubChem CID110342802
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H19N3O3S/c20-13-16-6-3-4-8-18(16)21-19(23)10-12-26(24,25)22-11-9-15-5-1-2-7-17(15)14-22/h1-8H,9-12,14H2,(H,21,23)
InChIKeyIDKHHUOAXFSWMF-UHFFFAOYSA-N
XLogP2.27
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide
CID 108948209
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide
CID 110342768
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylphenyl)propanamide
CID 110342760
N-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide
CID 110342798
N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 110342745
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]amino]benzonitrile
CID 109024518
N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323836
N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110864681
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106669459

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide (CID 110342802) is N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide is N#Cc1ccccc1NC(=O)CCS(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide?
The InChIKey is IDKHHUOAXFSWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c20-13-16-6-3-4-8-18(16)21-19(23)10-12-26(24,25)22-11-9-15-5-1-2-7-17(15)14-22/h1-8H,9-12,14H2,(H,21,23).
What are the key properties of N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide?
N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide has a molecular weight of 369.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide is sourced from PubChem (CID 110342802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).