N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C17H19FN4O3S — CID 120882228

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1F)CCNC2)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H19FN4O3S/c1-22(26(24,25)13-3-2-7-19-10-13)11-16(23)21-15-5-4-12-9-20-8-6-14(12)17(15)18/h2-5,7,10,20H,6,8-9,11H2,1H3,(H,21,23)
InChIKeyWPVYTSWCEROMOH-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.13
Rot. Bonds5

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 120882228) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID120882228
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1F)CCNC2)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H19FN4O3S/c1-22(26(24,25)13-3-2-7-19-10-13)11-16(23)21-15-5-4-12-9-20-8-6-14(12)17(15)18/h2-5,7,10,20H,6,8-9,11H2,1H3,(H,21,23)
InChIKeyWPVYTSWCEROMOH-UHFFFAOYSA-N
XLogP1.13
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethylsulfonyl(methyl)amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120882028
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(methylsulfamoyl)acetamide;hydrochloride
CID 120881417
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide
CID 120882854
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 55663160
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55766151
2-[4-(difluoromethylsulfonyl)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120884075
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-N',N'-dipropylbutanediamide
CID 120883280
3-(ethylsulfamoyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120881911
2-(4-ethylpiperazin-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120883660
3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120883720

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 120882228) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1ccc2c(c1F)CCNC2)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is WPVYTSWCEROMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-22(26(24,25)13-3-2-7-19-10-13)11-16(23)21-15-5-4-12-9-20-8-6-14(12)17(15)18/h2-5,7,10,20H,6,8-9,11H2,1H3,(H,21,23).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 378.43 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 120882228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).