2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide

C17H20N2O4S — CID 4015513

IUPAC2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-4-5-14(10-13(12)2)19-24(21,22)16-8-6-15(7-9-16)23-11-17(20)18-3/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyDRCMPESGKRAWEQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.23
Rot. Bonds6

About 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide

2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide (PubChem CID 4015513) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
PubChem CID4015513
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-4-5-14(10-13(12)2)19-24(21,22)16-8-6-15(7-9-16)23-11-17(20)18-3/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyDRCMPESGKRAWEQ-UHFFFAOYSA-N
XLogP2.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
N-(3,4-difluorophenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553221
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
N-(2,4-dimethoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126390204
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 100800892
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3906228
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 27186819
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(2-methyl-5-nitrophenyl)acetamide
CID 3879058
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126393350
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553191
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide (CID 4015513) is 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide?
The InChIKey is DRCMPESGKRAWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-4-5-14(10-13(12)2)19-24(21,22)16-8-6-15(7-9-16)23-11-17(20)18-3/h4-10,19H,11H2,1-3H3,(H,18,20).
What are the key properties of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide?
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide has a molecular weight of 348.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 4015513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).