2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C17H18N2O4S — CID 75403884

IUPAC2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CS(=O)(=O)c1cccc[n+]1[O-])NC1CCCc2ccccc21
InChIInChI=1S/C17H18N2O4S/c20-16(12-24(22,23)17-10-3-4-11-19(17)21)18-15-9-5-7-13-6-1-2-8-14(13)15/h1-4,6,8,10-11,15H,5,7,9,12H2,(H,18,20)
InChIKeyYSLLZPGPMHOHQV-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.29
Rot. Bonds4

About 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 75403884) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID75403884
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CS(=O)(=O)c1cccc[n+]1[O-])NC1CCCc2ccccc21
InChIInChI=1S/C17H18N2O4S/c20-16(12-24(22,23)17-10-3-4-11-19(17)21)18-15-9-5-7-13-6-1-2-8-14(13)15/h1-4,6,8,10-11,15H,5,7,9,12H2,(H,18,20)
InChIKeyYSLLZPGPMHOHQV-UHFFFAOYSA-N
XLogP1.29
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-isoquinolin-2-ium-2-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8828622
3-(4-methylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2467560
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133228869
2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 56506585
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
2-(1-methylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133204363
3-phenothiazin-10-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2338826
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 75403884) is 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(CS(=O)(=O)c1cccc[n+]1[O-])NC1CCCc2ccccc21.
What is the InChIKey of 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is YSLLZPGPMHOHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-16(12-24(22,23)17-10-3-4-11-19(17)21)18-15-9-5-7-13-6-1-2-8-14(13)15/h1-4,6,8,10-11,15H,5,7,9,12H2,(H,18,20).
What are the key properties of 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 75403884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).