N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide

C16H28N4O4S — CID 119384520

IUPACN-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NCCN)c1
InChIInChI=1S/C16H28N4O4S/c1-4-20(5-2)25(22,23)13-6-7-15(18-10-11-24-3)14(12-13)16(21)19-9-8-17/h6-7,12,18H,4-5,8-11,17H2,1-3H3,(H,19,21)
InChIKeyCGTLXEBHHAGUJH-UHFFFAOYSA-N
MW372.49 g/mol
LogP0.46
Rot. Bonds11

About N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide

N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide (PubChem CID 119384520) has the molecular formula C16H28N4O4S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide
PubChem CID119384520
Molecular FormulaC16H28N4O4S
Molecular Weight372.49 g/mol
Exact Mass372.18
IUPAC NameN-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NCCN)c1
InChIInChI=1S/C16H28N4O4S/c1-4-20(5-2)25(22,23)13-6-7-15(18-10-11-24-3)14(12-13)16(21)19-9-8-17/h6-7,12,18H,4-5,8-11,17H2,1-3H3,(H,19,21)
InChIKeyCGTLXEBHHAGUJH-UHFFFAOYSA-N
XLogP0.46
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 50.46
H-Bond Donors ≤ 53
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-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide?
The IUPAC name of N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide (CID 119384520) is N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide?
The canonical SMILES for N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide is CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide?
The InChIKey is CGTLXEBHHAGUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4S/c1-4-20(5-2)25(22,23)13-6-7-15(18-10-11-24-3)14(12-13)16(21)19-9-8-17/h6-7,12,18H,4-5,8-11,17H2,1-3H3,(H,19,21).
What are the key properties of N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide?
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide has a molecular weight of 372.49 g/mol, XLogP of 0.46, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide is sourced from PubChem (CID 119384520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).