N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide

C19H20FNO4S — CID 46890192

IUPACN-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide
SMILESO=C(CO)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C19H20FNO4S/c20-15-5-2-6-16(10-15)26(24,25)17-7-8-18-13(9-17)3-1-4-14(18)11-21-19(23)12-22/h2,5-10,14,22H,1,3-4,11-12H2,(H,21,23)/t14-/m0/s1
InChIKeyXESGTQXHHPZNJK-AWEZNQCLSA-N
MW377.44 g/mol
LogP2.19
Rot. Bonds5

About N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide

N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide (PubChem CID 46890192) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide
PubChem CID46890192
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC NameN-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide
SMILESO=C(CO)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C19H20FNO4S/c20-15-5-2-6-16(10-15)26(24,25)17-7-8-18-13(9-17)3-1-4-14(18)11-21-19(23)12-22/h2,5-10,14,22H,1,3-4,11-12H2,(H,21,23)/t14-/m0/s1
InChIKeyXESGTQXHHPZNJK-AWEZNQCLSA-N
XLogP2.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Landipirdine
CID 46220503
N-[[(1R)-6-(benzenesulfonyl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 11682024
2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]acetamide
CID 46889328
2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]-N-methylacetamide
CID 46889349
2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol
CID 46889350
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-methoxyethanamine
CID 46889351
2-amino-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46889353
2-(dimethylamino)-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46890155
(R)-1-[6-(3-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl]-3-methyl-urea
CID 46890157
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46890190
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-methoxyacetamide
CID 46890218
1-[(R)-6-(3-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl]-azetidin-3-ol
CID 46890322

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide (CID 46890192) is N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide is O=C(CO)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide?
The InChIKey is XESGTQXHHPZNJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FNO4S/c20-15-5-2-6-16(10-15)26(24,25)17-7-8-18-13(9-17)3-1-4-14(18)11-21-19(23)12-22/h2,5-10,14,22H,1,3-4,11-12H2,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide?
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide has a molecular weight of 377.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 46890192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).