2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide

C19H21N3O4S — CID 133163726

IUPAC2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H21N3O4S/c1-3-14(2)22-27(24,25)18-9-7-17(8-10-18)26-13-19(23)21-16-6-4-5-15(11-16)12-20/h4-11,14,22H,3,13H2,1-2H3,(H,21,23)
InChIKeyGXGSFYRZBSSUHZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.65
Rot. Bonds8

About 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide

2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide (PubChem CID 133163726) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide
PubChem CID133163726
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H21N3O4S/c1-3-14(2)22-27(24,25)18-9-7-17(8-10-18)26-13-19(23)21-16-6-4-5-15(11-16)12-20/h4-11,14,22H,3,13H2,1-2H3,(H,21,23)
InChIKeyGXGSFYRZBSSUHZ-UHFFFAOYSA-N
XLogP2.65
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 126201924
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 126205010
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
[2-(3-cyanoanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606426
[2-(3-cyanoanilino)-2-oxoethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 55927172
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 126205366
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide (CID 133163726) is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide is CCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide?
The InChIKey is GXGSFYRZBSSUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-3-14(2)22-27(24,25)18-9-7-17(8-10-18)26-13-19(23)21-16-6-4-5-15(11-16)12-20/h4-11,14,22H,3,13H2,1-2H3,(H,21,23).
What are the key properties of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide?
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 133163726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).