N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide

C27H26N2O4S — CID 3272472

IUPACN-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)COc3ccc4ccccc4c3)c2)c(C)c1
InChIInChI=1S/C27H26N2O4S/c1-18-8-13-25(20(3)14-18)29-34(31,32)24-12-9-19(2)26(16-24)28-27(30)17-33-23-11-10-21-6-4-5-7-22(21)15-23/h4-16,29H,17H2,1-3H3,(H,28,30)
InChIKeyFBLPRIHDVHTOEZ-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.58
Rot. Bonds7

About N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide

N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 3272472) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide
PubChem CID3272472
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC NameN-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)COc3ccc4ccccc4c3)c2)c(C)c1
InChIInChI=1S/C27H26N2O4S/c1-18-8-13-25(20(3)14-18)29-34(31,32)24-12-9-19(2)26(16-24)28-27(30)17-33-23-11-10-21-6-4-5-7-22(21)15-23/h4-16,29H,17H2,1-3H3,(H,28,30)
InChIKeyFBLPRIHDVHTOEZ-UHFFFAOYSA-N
XLogP5.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide (CID 3272472) is N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)COc3ccc4ccccc4c3)c2)c(C)c1.
What is the InChIKey of N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is FBLPRIHDVHTOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-18-8-13-25(20(3)14-18)29-34(31,32)24-12-9-19(2)26(16-24)28-27(30)17-33-23-11-10-21-6-4-5-7-22(21)15-23/h4-16,29H,17H2,1-3H3,(H,28,30).
What are the key properties of N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide?
N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 474.58 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 3272472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).