N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide

C14H19FN2O3S — CID 96967900

IUPACN-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C
InChIInChI=1S/C14H19FN2O3S/c1-9-6-7-10-11(4-3-5-12(10)15)14(9)17-13(18)8-21(19,20)16-2/h3-5,9,14,16H,6-8H2,1-2H3,(H,17,18)/t9-,14+/m0/s1
InChIKeyIJPQESCCIXDUKB-LKFCYVNXSA-N
MW314.38 g/mol
LogP1.11
Rot. Bonds4

About N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide

N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide (PubChem CID 96967900) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
PubChem CID96967900
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C
InChIInChI=1S/C14H19FN2O3S/c1-9-6-7-10-11(4-3-5-12(10)15)14(9)17-13(18)8-21(19,20)16-2/h3-5,9,14,16H,6-8H2,1-2H3,(H,17,18)/t9-,14+/m0/s1
InChIKeyIJPQESCCIXDUKB-LKFCYVNXSA-N
XLogP1.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide (CID 96967900) is N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C.
What is the InChIKey of N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide?
The InChIKey is IJPQESCCIXDUKB-LKFCYVNXSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-9-6-7-10-11(4-3-5-12(10)15)14(9)17-13(18)8-21(19,20)16-2/h3-5,9,14,16H,6-8H2,1-2H3,(H,17,18)/t9-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide?
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 96967900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).