N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H23N3O3S — CID 49262790

IUPACN-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCNS(=O)(=O)Cc1cccc(CNC(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C19H23N3O3S/c1-20-26(24,25)14-16-6-4-5-15(11-16)12-21-19(23)22-10-9-17-7-2-3-8-18(17)13-22/h2-8,11,20H,9-10,12-14H2,1H3,(H,21,23)
InChIKeyIEXFEKWBWBLMOH-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.00
Rot. Bonds5

About N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 49262790) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID49262790
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCNS(=O)(=O)Cc1cccc(CNC(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C19H23N3O3S/c1-20-26(24,25)14-16-6-4-5-15(11-16)12-21-19(23)22-10-9-17-7-2-3-8-18(17)13-22/h2-8,11,20H,9-10,12-14H2,1H3,(H,21,23)
InChIKeyIEXFEKWBWBLMOH-UHFFFAOYSA-N
XLogP2.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 49262524
N-benzyl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110354899
N-ethyl-N'-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947070
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 27533051
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
N'-methyl-N-[(3-sulfamoylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946624
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780
N'-methyl-N-[(3-sulfamoylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946623
N-[3-[[[C-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide
CID 110947378
7-ethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869231
N-benzyl-3-ethyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
CID 53140475
N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 112971854

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 49262790) is N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is CNS(=O)(=O)Cc1cccc(CNC(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is IEXFEKWBWBLMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-20-26(24,25)14-16-6-4-5-15(11-16)12-21-19(23)22-10-9-17-7-2-3-8-18(17)13-22/h2-8,11,20H,9-10,12-14H2,1H3,(H,21,23).
What are the key properties of N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 49262790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).