2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C25H26N2O4S — CID 28553266

IUPAC2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C25H26N2O4S/c1-18-7-2-5-11-23(18)27-32(29,30)21-15-13-20(14-16-21)31-17-25(28)26-24-12-6-9-19-8-3-4-10-22(19)24/h2-5,7-8,10-11,13-16,24,27H,6,9,12,17H2,1H3,(H,26,28)/t24-/m1/s1
InChIKeyDGHSVLYPQLQTCI-XMMPIXPASA-N
MW450.56 g/mol
LogP4.37
Rot. Bonds7

About 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 28553266) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID28553266
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C25H26N2O4S/c1-18-7-2-5-11-23(18)27-32(29,30)21-15-13-20(14-16-21)31-17-25(28)26-24-12-6-9-19-8-3-4-10-22(19)24/h2-5,7-8,10-11,13-16,24,27H,6,9,12,17H2,1H3,(H,26,28)/t24-/m1/s1
InChIKeyDGHSVLYPQLQTCI-XMMPIXPASA-N
XLogP4.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553121
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873176
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553683
2-[4-(1-phenylethylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873202
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28552190
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873433
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4092541
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2552929
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92649315
2-(4-propanoylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2542209

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 28553266) is 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is DGHSVLYPQLQTCI-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-18-7-2-5-11-23(18)27-32(29,30)21-15-13-20(14-16-21)31-17-25(28)26-24-12-6-9-19-8-3-4-10-22(19)24/h2-5,7-8,10-11,13-16,24,27H,6,9,12,17H2,1H3,(H,26,28)/t24-/m1/s1.
What are the key properties of 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 450.56 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 28553266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).