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

C18H20N2O4S — CID 126197548

IUPAC2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NC1CC1
InChIInChI=1S/C18H20N2O4S/c21-18(20-15-6-7-15)13-24-16-8-10-17(11-9-16)25(22,23)19-12-14-4-2-1-3-5-14/h1-5,8-11,15,19H,6-7,12-13H2,(H,20,21)
InChIKeyVISVVJPXEYWVLJ-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.82
Rot. Bonds8

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

2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide (PubChem CID 126197548) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide
PubChem CID126197548
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NC1CC1
InChIInChI=1S/C18H20N2O4S/c21-18(20-15-6-7-15)13-24-16-8-10-17(11-9-16)25(22,23)19-12-14-4-2-1-3-5-14/h1-5,8-11,15,19H,6-7,12-13H2,(H,20,21)
InChIKeyVISVVJPXEYWVLJ-UHFFFAOYSA-N
XLogP1.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide
CID 126394650
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 126207961
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786
4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122068703
methyl 4-[[2-[4-(benzylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126198183
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4928885
N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 126202255
N-(1,3-benzodioxol-5-yl)-2-[4-(benzylsulfamoyl)phenoxy]acetamide
CID 1088591
N-[4-(benzylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4931030

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide (CID 126197548) is 2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide is O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NC1CC1.
What is the InChIKey of 2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide?
The InChIKey is VISVVJPXEYWVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(20-15-6-7-15)13-24-16-8-10-17(11-9-16)25(22,23)19-12-14-4-2-1-3-5-14/h1-5,8-11,15,19H,6-7,12-13H2,(H,20,21).
What are the key properties of 2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide?
2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide has a molecular weight of 360.44 g/mol, XLogP of 1.82, 8 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-cyclopropylacetamide is sourced from PubChem (CID 126197548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).