2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide

C25H22N2O4S — CID 3265403

IUPAC2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc34)cc2)c1
InChIInChI=1S/C25H22N2O4S/c1-18-6-4-9-20(16-18)27-32(29,30)22-14-12-21(13-15-22)31-17-25(28)26-24-11-5-8-19-7-2-3-10-23(19)24/h2-16,27H,17H2,1H3,(H,26,28)
InChIKeyJZCRWSLSVKSDIQ-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.97
Rot. Bonds7

About 2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide

2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide (PubChem CID 3265403) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
PubChem CID3265403
Molecular FormulaC25H22N2O4S
Molecular Weight446.53 g/mol
Exact Mass446.13
IUPAC Name2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc34)cc2)c1
InChIInChI=1S/C25H22N2O4S/c1-18-6-4-9-20(16-18)27-32(29,30)22-14-12-21(13-15-22)31-17-25(28)26-24-11-5-8-19-7-2-3-10-23(19)24/h2-16,27H,17H2,1H3,(H,26,28)
InChIKeyJZCRWSLSVKSDIQ-UHFFFAOYSA-N
XLogP4.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3906228
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 4995850
N-(4-ethylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3889761
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553452
N-(2-ethyl-6-methylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3900705
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5139046
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
N-(2,5-dimethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4259927
methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate
CID 47062658
N-[(2,4-dichlorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4291684
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 2228508

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide (CID 3265403) is 2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide is Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc34)cc2)c1.
What is the InChIKey of 2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
The InChIKey is JZCRWSLSVKSDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S/c1-18-6-4-9-20(16-18)27-32(29,30)22-14-12-21(13-15-22)31-17-25(28)26-24-11-5-8-19-7-2-3-10-23(19)24/h2-16,27H,17H2,1H3,(H,26,28).
What are the key properties of 2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide?
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide has a molecular weight of 446.53 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 3265403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).