N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide

C21H24N2O5S — CID 1226875

IUPACN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1
InChIInChI=1S/C21H24N2O5S/c1-4-14-23(15-5-2)29(25,26)18-12-10-17(11-13-18)22-21(24)16-28-20-9-7-6-8-19(20)27-3/h4-13H,1-2,14-16H2,3H3,(H,22,24)
InChIKeyDESXZRKNIKQJEE-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.08
Rot. Bonds11

About N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 1226875) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID1226875
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1
InChIInChI=1S/C21H24N2O5S/c1-4-14-23(15-5-2)29(25,26)18-12-10-17(11-13-18)22-21(24)16-28-20-9-7-6-8-19(20)27-3/h4-13H,1-2,14-16H2,3H3,(H,22,24)
InChIKeyDESXZRKNIKQJEE-UHFFFAOYSA-N
XLogP3.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3282755
Acetamide, N-(4-(aminosulfonyl)phenyl)-2-(4-chlorophenoxy)-
CID 151533
2-(2-methoxyphenoxy)-N-(4-{[(2-methoxyphenoxy)acetyl]amino}phenyl)acetamide
CID 1012995
N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 3875813
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2948005
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide
CID 736378
2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1144627

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide (CID 1226875) is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide is C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1.
What is the InChIKey of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is DESXZRKNIKQJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-4-14-23(15-5-2)29(25,26)18-12-10-17(11-13-18)22-21(24)16-28-20-9-7-6-8-19(20)27-3/h4-13H,1-2,14-16H2,3H3,(H,22,24).
What are the key properties of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide?
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 416.50 g/mol, XLogP of 3.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 1226875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).