N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide

C12H19N3O5S2 — CID 55433934

IUPACN,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O5S2/c1-3-15(4-2)12(16)9-14-22(19,20)11-7-5-10(6-8-11)21(13,17)18/h5-8,14H,3-4,9H2,1-2H3,(H2,13,17,18)
InChIKeyXPQMSACYJMHIDU-UHFFFAOYSA-N
MW349.43 g/mol
LogP-0.52
Rot. Bonds7

About N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide

N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide (PubChem CID 55433934) has the molecular formula C12H19N3O5S2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide
PubChem CID55433934
Molecular FormulaC12H19N3O5S2
Molecular Weight349.43 g/mol
Exact Mass349.08
IUPAC NameN,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O5S2/c1-3-15(4-2)12(16)9-14-22(19,20)11-7-5-10(6-8-11)21(13,17)18/h5-8,14H,3-4,9H2,1-2H3,(H2,13,17,18)
InChIKeyXPQMSACYJMHIDU-UHFFFAOYSA-N
XLogP-0.52
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 106545765
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
CID 114613706
N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 48503596
2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide
CID 43310982
2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide
CID 114626087
4-N-(2-ethylbutyl)benzene-1,4-disulfonamide
CID 115613409
N,N-diethyl-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375378
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide
CID 113165281
N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508740
2-(benzylsulfonylamino)-N,N-diethylacetamide
CID 47098437
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738869

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide (CID 55433934) is N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide is CCN(CC)C(=O)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide?
The InChIKey is XPQMSACYJMHIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S2/c1-3-15(4-2)12(16)9-14-22(19,20)11-7-5-10(6-8-11)21(13,17)18/h5-8,14H,3-4,9H2,1-2H3,(H2,13,17,18).
What are the key properties of N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide?
N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide has a molecular weight of 349.43 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 55433934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).