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

C20H22FNO3S — CID 46890191

IUPACN-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C20H22FNO3S/c1-14(23)22(2)13-16-6-3-5-15-11-19(9-10-20(15)16)26(24,25)18-8-4-7-17(21)12-18/h4,7-12,16H,3,5-6,13H2,1-2H3/t16-/m0/s1
InChIKeyYQBHAOBHMAGPDP-INIZCTEOSA-N
MW375.47 g/mol
LogP3.56
Rot. Bonds4

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

N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide (PubChem CID 46890191) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide
PubChem CID46890191
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC NameN-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C20H22FNO3S/c1-14(23)22(2)13-16-6-3-5-15-11-19(9-10-20(15)16)26(24,25)18-8-4-7-17(21)12-18/h4,7-12,16H,3,5-6,13H2,1-2H3/t16-/m0/s1
InChIKeyYQBHAOBHMAGPDP-INIZCTEOSA-N
XLogP3.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Landipirdine
CID 46220503
1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 11515192
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
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
1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
CID 46889856
[6-(Benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylurea
CID 46889858
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

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide (CID 46890191) is N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide is CC(=O)N(C)C[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]-N-methylacetamide?
The InChIKey is YQBHAOBHMAGPDP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22FNO3S/c1-14(23)22(2)13-16-6-3-5-15-11-19(9-10-20(15)16)26(24,25)18-8-4-7-17(21)12-18/h4,7-12,16H,3,5-6,13H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide?
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide has a molecular weight of 375.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 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]-N-methylacetamide is sourced from PubChem (CID 46890191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).