4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C25H25ClN2O4S — CID 31213510

IUPAC4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)CCOc2ccccc2)ccc1Cl
InChIInChI=1S/C25H25ClN2O4S/c1-3-16-28(21-10-6-4-7-11-21)33(30,31)24-19-20(14-15-23(24)26)25(29)27(2)17-18-32-22-12-8-5-9-13-22/h3-15,19H,1,16-18H2,2H3
InChIKeyMLUNLGQZBSMHLP-UHFFFAOYSA-N
MW485.01 g/mol
LogP4.87
Rot. Bonds10

About 4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 31213510) has the molecular formula C25H25ClN2O4S and a molecular weight of 485.01 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID31213510
Molecular FormulaC25H25ClN2O4S
Molecular Weight485.01 g/mol
Exact Mass484.12
IUPAC Name4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)CCOc2ccccc2)ccc1Cl
InChIInChI=1S/C25H25ClN2O4S/c1-3-16-28(21-10-6-4-7-11-21)33(30,31)24-19-20(14-15-23(24)26)25(29)27(2)17-18-32-22-12-8-5-9-13-22/h3-15,19H,1,16-18H2,2H3
InChIKeyMLUNLGQZBSMHLP-UHFFFAOYSA-N
XLogP4.87
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.87
H-Bond Donors ≤ 50
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 4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 31213510) is 4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)CCOc2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is MLUNLGQZBSMHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4S/c1-3-16-28(21-10-6-4-7-11-21)33(30,31)24-19-20(14-15-23(24)26)25(29)27(2)17-18-32-22-12-8-5-9-13-22/h3-15,19H,1,16-18H2,2H3.
What are the key properties of 4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 485.01 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 31213510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).