2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide

C17H17ClN2O5S — CID 1288702

IUPAC2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c1
InChIInChI=1S/C17H17ClN2O5S/c1-10-6-14(18)16(8-15(10)25-9-17(19)22)26(23,24)20-13-5-3-4-12(7-13)11(2)21/h3-8,20H,9H2,1-2H3,(H2,19,22)
InChIKeyBVVMKGWJOIWTNE-UHFFFAOYSA-N
MW396.85 g/mol
LogP2.52
Rot. Bonds7

About 2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide

2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide (PubChem CID 1288702) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is 2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide
PubChem CID1288702
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Name2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c1
InChIInChI=1S/C17H17ClN2O5S/c1-10-6-14(18)16(8-15(10)25-9-17(19)22)26(23,24)20-13-5-3-4-12(7-13)11(2)21/h3-8,20H,9H2,1-2H3,(H2,19,22)
InChIKeyBVVMKGWJOIWTNE-UHFFFAOYSA-N
XLogP2.52
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide?
The IUPAC name of 2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide (CID 1288702) is 2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide.
What is the SMILES notation for 2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide?
The canonical SMILES for 2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide is CC(=O)c1cccc(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c1.
What is the InChIKey of 2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide?
The InChIKey is BVVMKGWJOIWTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-10-6-14(18)16(8-15(10)25-9-17(19)22)26(23,24)20-13-5-3-4-12(7-13)11(2)21/h3-8,20H,9H2,1-2H3,(H2,19,22).
What are the key properties of 2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide?
2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide has a molecular weight of 396.85 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-acetylphenyl)sulfamoyl]-4-chloro-2-methylphenoxy]acetamide is sourced from PubChem (CID 1288702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).