N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide

C20H22N4O4S2 — CID 90533018

IUPACN-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCN(C)S(=O)(=O)N1CCc2nc(NC(=O)COc3ccc4ccccc4c3)sc2C1
InChIInChI=1S/C20H22N4O4S2/c1-23(2)30(26,27)24-10-9-17-18(12-24)29-20(21-17)22-19(25)13-28-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,22,25)
InChIKeyGOPDPYGAPSUQCD-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.48
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide

N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 90533018) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID90533018
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCN(C)S(=O)(=O)N1CCc2nc(NC(=O)COc3ccc4ccccc4c3)sc2C1
InChIInChI=1S/C20H22N4O4S2/c1-23(2)30(26,27)24-10-9-17-18(12-24)29-20(21-17)22-19(25)13-28-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,22,25)
InChIKeyGOPDPYGAPSUQCD-UHFFFAOYSA-N
XLogP2.48
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide
CID 90530772
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-chlorophenoxy)acetamide
CID 20975120
N-[5-(2-naphthalen-2-yloxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525107
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 90532939
1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(2-methoxyphenyl)urea
CID 90533125
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1H-indole-6-carboxamide
CID 90533112
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-4-carboxamide
CID 90533083
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 90532967
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-methylphenoxy)acetamide
CID 51172739
3-cyclopentyl-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide
CID 90532956
4-bromo-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 90532994
2-(3-ethylphenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 51172807

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide (CID 90533018) is N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide is CN(C)S(=O)(=O)N1CCc2nc(NC(=O)COc3ccc4ccccc4c3)sc2C1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is GOPDPYGAPSUQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-23(2)30(26,27)24-10-9-17-18(12-24)29-20(21-17)22-19(25)13-28-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,22,25).
What are the key properties of N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide?
N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 446.55 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 90533018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).