N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide

C19H19N3O3S — CID 113157289

IUPACN-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1cccc(C#N)c1
InChIInChI=1S/C19H19N3O3S/c1-26(24,25)22(18-8-4-5-15(11-18)12-20)14-19(23)21-10-9-16-6-2-3-7-17(16)13-21/h2-8,11H,9-10,13-14H2,1H3
InChIKeyLIHUHJLFNBTJBD-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.91
Rot. Bonds4

About N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide

N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 113157289) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
PubChem CID113157289
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1cccc(C#N)c1
InChIInChI=1S/C19H19N3O3S/c1-26(24,25)22(18-8-4-5-15(11-18)12-20)14-19(23)21-10-9-16-6-2-3-7-17(16)13-21/h2-8,11H,9-10,13-14H2,1H3
InChIKeyLIHUHJLFNBTJBD-UHFFFAOYSA-N
XLogP1.91
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
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N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 30262608
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464642
N-(3-cyanophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146833
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CID 113146738
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
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N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 1000735
3-[methyl-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]amino]benzonitrile
CID 62981010
3-cyano-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzamide
CID 110371006
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide (CID 113157289) is N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is LIHUHJLFNBTJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-26(24,25)22(18-8-4-5-15(11-18)12-20)14-19(23)21-10-9-16-6-2-3-7-17(16)13-21/h2-8,11H,9-10,13-14H2,1H3.
What are the key properties of N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide?
N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 113157289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).