2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide

C17H20N2O4S — CID 889485

IUPAC2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-23-13-17(20)19-15-7-9-16(10-8-15)24(21,22)18-12-11-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3,(H,19,20)
InChIKeyKCKDMRHIUOVCIT-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.79
Rot. Bonds8

About 2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide

2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide (PubChem CID 889485) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
PubChem CID889485
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-23-13-17(20)19-15-7-9-16(10-8-15)24(21,22)18-12-11-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3,(H,19,20)
InChIKeyKCKDMRHIUOVCIT-UHFFFAOYSA-N
XLogP1.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide (CID 889485) is 2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide is COCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The InChIKey is KCKDMRHIUOVCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-13-17(20)19-15-7-9-16(10-8-15)24(21,22)18-12-11-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3,(H,19,20).
What are the key properties of 2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 889485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).