N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide

C18H20N2O4S — CID 100501598

IUPACN-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESC=CCOc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-4-13-24-17-9-7-16(8-10-17)20(3)25(22,23)18-11-5-15(6-12-18)19-14(2)21/h4-12H,1,13H2,2-3H3,(H,19,21)
InChIKeyQAPLCVAQDMWBPE-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.03
Rot. Bonds7

About N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide

N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 100501598) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID100501598
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESC=CCOc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-4-13-24-17-9-7-16(8-10-17)20(3)25(22,23)18-11-5-15(6-12-18)19-14(2)21/h4-12H,1,13H2,2-3H3,(H,19,21)
InChIKeyQAPLCVAQDMWBPE-UHFFFAOYSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide (CID 100501598) is N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide is C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is QAPLCVAQDMWBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-4-13-24-17-9-7-16(8-10-17)20(3)25(22,23)18-11-5-15(6-12-18)19-14(2)21/h4-12H,1,13H2,2-3H3,(H,19,21).
What are the key properties of N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide?
N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 100501598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).