N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide

C15H24N4O6S — CID 2150

IUPACN-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide
SMILESNCC(=O)NCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N4O6S/c16-11-14(20)18-5-7-24-9-10-25-8-6-19-15(21)12-1-3-13(4-2-12)26(17,22)23/h1-4H,5-11,16H2,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyOIKKGRHOXPAPMW-UHFFFAOYSA-N
MW388.45 g/mol
LogP-1.83
Rot. Bonds12

About N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide

N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide (PubChem CID 2150) has the molecular formula C15H24N4O6S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide
PubChem CID2150
Molecular FormulaC15H24N4O6S
Molecular Weight388.45 g/mol
Exact Mass388.14
IUPAC NameN-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide
SMILESNCC(=O)NCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N4O6S/c16-11-14(20)18-5-7-24-9-10-25-8-6-19-15(21)12-1-3-13(4-2-12)26(17,22)23/h1-4H,5-11,16H2,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyOIKKGRHOXPAPMW-UHFFFAOYSA-N
XLogP-1.83
TPSA162.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
CID 115590077
N-[2-(2-aminoethoxy)ethyl]-4-methylsulfonylbenzamide
CID 63753546
N-[2-[3-[2-[bis[3-oxo-3-[2-[(4-sulfamoylbenzoyl)amino]ethylamino]propyl]amino]ethyl-[3-oxo-3-[2-[(4-sulfamoylbenzoyl)amino]ethylamino]propyl]amino]propanoylamino]ethyl]-4-sulfamoylbenzamide
CID 122194134
N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
CID 103606595
4-(2-fluoroethoxy)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 75047493
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
N-[3-[2-[2-[3-[(7-bromo-5-chlorohept-6-ynoyl)amino]propoxy]ethoxy]ethoxy]propyl]-4-sulfamoylbenzamide
CID 171642277
2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10325079
N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide
CID 59991350
N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
N-methylethanamine;N-propyl-4-sulfamoylbenzamide
CID 68599383

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide (CID 2150) is N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide is NCC(=O)NCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide?
The InChIKey is OIKKGRHOXPAPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O6S/c16-11-14(20)18-5-7-24-9-10-25-8-6-19-15(21)12-1-3-13(4-2-12)26(17,22)23/h1-4H,5-11,16H2,(H,18,20)(H,19,21)(H2,17,22,23).
What are the key properties of N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide?
N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide has a molecular weight of 388.45 g/mol, XLogP of -1.83, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 2150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).