2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H26N2O5S — CID 40811879

IUPAC2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1cccc2c1CCC[C@H]2O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H26N2O5S/c25-20-10-4-9-19-18(20)8-5-11-21(19)29-15-22(26)23-16-6-3-7-17(14-16)30(27,28)24-12-1-2-13-24/h3,5-8,11,14,20,25H,1-2,4,9-10,12-13,15H2,(H,23,26)/t20-/m1/s1
InChIKeyFKGRMUJSBKOSOY-HXUWFJFHSA-N
MW430.53 g/mol
LogP2.86
Rot. Bonds6

About 2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 40811879) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID40811879
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1cccc2c1CCC[C@H]2O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H26N2O5S/c25-20-10-4-9-19-18(20)8-5-11-21(19)29-15-22(26)23-16-6-3-7-17(14-16)30(27,28)24-12-1-2-13-24/h3,5-8,11,14,20,25H,1-2,4,9-10,12-13,15H2,(H,23,26)/t20-/m1/s1
InChIKeyFKGRMUJSBKOSOY-HXUWFJFHSA-N
XLogP2.86
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921895
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
N-(3-piperidin-1-ylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7926190
2-(2-nitrophenoxy)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4810681
N-(2,6-dimethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899606
2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 39921821
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899592
2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9415053
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclopentylacetate
CID 7722486
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate
CID 30582105
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate
CID 35776383

Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 40811879) is 2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(COc1cccc2c1CCC[C@H]2O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is FKGRMUJSBKOSOY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O5S/c25-20-10-4-9-19-18(20)8-5-11-21(19)29-15-22(26)23-16-6-3-7-17(14-16)30(27,28)24-12-1-2-13-24/h3,5-8,11,14,20,25H,1-2,4,9-10,12-13,15H2,(H,23,26)/t20-/m1/s1.
What are the key properties of 2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 430.53 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 40811879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).