2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide

C18H21N3O3S — CID 99696765

IUPAC2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide
SMILESCC1(C)CC[C@H](CC(=O)NS(=O)(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C18H21N3O3S/c1-18(2)8-7-13(14-5-3-4-6-15(14)18)11-16(22)21-25(23,24)17-12-19-9-10-20-17/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyJAHYJQWVXFFAMS-CYBMUJFWSA-N
MW359.45 g/mol
LogP2.53
Rot. Bonds4

About 2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide

2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide (PubChem CID 99696765) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide
PubChem CID99696765
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide
SMILESCC1(C)CC[C@H](CC(=O)NS(=O)(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C18H21N3O3S/c1-18(2)8-7-13(14-5-3-4-6-15(14)18)11-16(22)21-25(23,24)17-12-19-9-10-20-17/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyJAHYJQWVXFFAMS-CYBMUJFWSA-N
XLogP2.53
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylacetamide
CID 82082245
N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide
CID 166322938
2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide
CID 82079114
(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine
CID 43316841
(2R)-1-phenyl-N-pyrazin-2-ylsulfonylpyrrolidine-2-carboxamide
CID 124733555
2-(3,4-dihydro-2H-chromen-4-yl)-N-pyrazin-2-ylacetamide
CID 75508730
N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131651674
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine
CID 78982946
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one
CID 83047721
2-(cyclopropylmethylamino)-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide;hydrochloride
CID 119758390
4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 43147420
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyridin-3-amine
CID 43147323

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide?
The IUPAC name of 2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide (CID 99696765) is 2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide.
What is the SMILES notation for 2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide?
The canonical SMILES for 2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide is CC1(C)CC[C@H](CC(=O)NS(=O)(=O)c2cnccn2)c2ccccc21.
What is the InChIKey of 2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide?
The InChIKey is JAHYJQWVXFFAMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-18(2)8-7-13(14-5-3-4-6-15(14)18)11-16(22)21-25(23,24)17-12-19-9-10-20-17/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide?
2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide has a molecular weight of 359.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-N-pyrazin-2-ylsulfonylacetamide is sourced from PubChem (CID 99696765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).