N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide

C15H16FN3O3S2 — CID 120883358

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C15H16FN3O3S2/c16-15-11-5-6-17-8-10(11)3-4-12(15)19-13(20)9-18-24(21,22)14-2-1-7-23-14/h1-4,7,17-18H,5-6,8-9H2,(H,19,20)
InChIKeyCWTISKPBAAIIRN-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.45
Rot. Bonds5

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 120883358) has the molecular formula C15H16FN3O3S2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID120883358
Molecular FormulaC15H16FN3O3S2
Molecular Weight369.44 g/mol
Exact Mass369.06
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C15H16FN3O3S2/c16-15-11-5-6-17-8-10(11)3-4-12(15)19-13(20)9-18-24(21,22)14-2-1-7-23-14/h1-4,7,17-18H,5-6,8-9H2,(H,19,20)
InChIKeyCWTISKPBAAIIRN-UHFFFAOYSA-N
XLogP1.45
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678310
N-[2-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 120883994
N-[2-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120883993
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 120882209
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide
CID 120882854
2-[4-(difluoromethylsulfonyl)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120884075
3-(3,5-dimethylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120883364
N-(3-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615673
N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995651
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride
CID 120882521
3-(ethylsulfamoyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120881911
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride
CID 120883197

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide (CID 120883358) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide is O=C(CNS(=O)(=O)c1cccs1)Nc1ccc2c(c1F)CCNC2.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is CWTISKPBAAIIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S2/c16-15-11-5-6-17-8-10(11)3-4-12(15)19-13(20)9-18-24(21,22)14-2-1-7-23-14/h1-4,7,17-18H,5-6,8-9H2,(H,19,20).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 369.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 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-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 120883358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).