N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide

C16H25ClN4O4S — CID 4986239

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CNCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C16H25ClN4O4S/c1-20(2)26(23,24)15-11-13(3-4-14(15)17)19-16(22)12-18-5-6-21-7-9-25-10-8-21/h3-4,11,18H,5-10,12H2,1-2H3,(H,19,22)
InChIKeyGNJCSJRNBMKTGH-UHFFFAOYSA-N
MW404.92 g/mol
LogP0.45
Rot. Bonds8

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide (PubChem CID 4986239) has the molecular formula C16H25ClN4O4S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide
PubChem CID4986239
Molecular FormulaC16H25ClN4O4S
Molecular Weight404.92 g/mol
Exact Mass404.13
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CNCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C16H25ClN4O4S/c1-20(2)26(23,24)15-11-13(3-4-14(15)17)19-16(22)12-18-5-6-21-7-9-25-10-8-21/h3-4,11,18H,5-10,12H2,1-2H3,(H,19,22)
InChIKeyGNJCSJRNBMKTGH-UHFFFAOYSA-N
XLogP0.45
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide (CID 4986239) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CNCCN2CCOCC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide?
The InChIKey is GNJCSJRNBMKTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O4S/c1-20(2)26(23,24)15-11-13(3-4-14(15)17)19-16(22)12-18-5-6-21-7-9-25-10-8-21/h3-4,11,18H,5-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide has a molecular weight of 404.92 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-morpholin-4-ylethylamino)acetamide is sourced from PubChem (CID 4986239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).