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

C26H28N2O4S — CID 4092541

IUPAC2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-19-10-16-23(17-11-19)33(30,31)28(2)21-12-14-22(15-13-21)32-18-26(29)27-25-9-5-7-20-6-3-4-8-24(20)25/h3-4,6,8,10-17,25H,5,7,9,18H2,1-2H3,(H,27,29)
InChIKeyNSZKMYBEZMYSDU-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.39
Rot. Bonds7

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

2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4092541) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4092541
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-19-10-16-23(17-11-19)33(30,31)28(2)21-12-14-22(15-13-21)32-18-26(29)27-25-9-5-7-20-6-3-4-8-24(20)25/h3-4,6,8,10-17,25H,5,7,9,18H2,1-2H3,(H,27,29)
InChIKeyNSZKMYBEZMYSDU-UHFFFAOYSA-N
XLogP4.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92649315
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41113157
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 53279185
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604446
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92683840
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873176
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553266
2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553121
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28552190
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553683
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43894689

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4092541) is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3CCCc4ccccc43)cc2)cc1.
What is the InChIKey of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is NSZKMYBEZMYSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-19-10-16-23(17-11-19)33(30,31)28(2)21-12-14-22(15-13-21)32-18-26(29)27-25-9-5-7-20-6-3-4-8-24(20)25/h3-4,6,8,10-17,25H,5,7,9,18H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 464.59 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4092541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).