2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide

C16H18N2O4S — CID 126198035

IUPAC2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-17-16(19)12-22-14-7-9-15(10-8-14)23(20,21)18-11-13-5-3-2-4-6-13/h2-10,18H,11-12H2,1H3,(H,17,19)
InChIKeyNQZUBGGSFUZBTM-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.29
Rot. Bonds7

About 2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide

2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide (PubChem CID 126198035) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
PubChem CID126198035
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-17-16(19)12-22-14-7-9-15(10-8-14)23(20,21)18-11-13-5-3-2-4-6-13/h2-10,18H,11-12H2,1H3,(H,17,19)
InChIKeyNQZUBGGSFUZBTM-UHFFFAOYSA-N
XLogP1.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 126197548
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 126207961
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4928885
methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126198183
N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 126202255
N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide
CID 100815509
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4931030
2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401789
N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide
CID 100814368

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide (CID 126198035) is 2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide?
The InChIKey is NQZUBGGSFUZBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-17-16(19)12-22-14-7-9-15(10-8-14)23(20,21)18-11-13-5-3-2-4-6-13/h2-10,18H,11-12H2,1H3,(H,17,19).
What are the key properties of 2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide?
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide has a molecular weight of 334.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 126198035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).