4-(acetylsulfamoyl)-N-ethylbutanamide

C8H16N2O4S — CID 138964116

IUPAC4-(acetylsulfamoyl)-N-ethylbutanamide
SMILESCCNC(=O)CCCS(=O)(=O)NC(C)=O
InChIInChI=1S/C8H16N2O4S/c1-3-9-8(12)5-4-6-15(13,14)10-7(2)11/h3-6H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyQOPUPGBWAOPKEH-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.63
Rot. Bonds6

About 4-(acetylsulfamoyl)-N-ethylbutanamide

4-(acetylsulfamoyl)-N-ethylbutanamide (PubChem CID 138964116) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-(acetylsulfamoyl)-N-ethylbutanamide.

Molecular Properties

Compound Name4-(acetylsulfamoyl)-N-ethylbutanamide
PubChem CID138964116
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-(acetylsulfamoyl)-N-ethylbutanamide
SMILESCCNC(=O)CCCS(=O)(=O)NC(C)=O
InChIInChI=1S/C8H16N2O4S/c1-3-9-8(12)5-4-6-15(13,14)10-7(2)11/h3-6H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyQOPUPGBWAOPKEH-UHFFFAOYSA-N
XLogP-0.63
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 155434
N-(2-((4-((2-(Acetylamino)ethylthio)sulfonyl)butyl)sulfonylthio)ethyl)acetamide
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CID 3636249
N-(3-sulfamoylpropyl)acetamide
CID 20459379
N-propanoyltaurine
CID 172407762
Pentanedithiosulfonic acid bis-S-(2-acetylamino-ethyl) ester
CID 44383995
2-(4-Dimethylarsorylbutanoylamino)ethanesulfonic acid
CID 15667152
1Lambda6,2,7-thiadiazonane-1,1,6-trione
CID 165992483
N-ethyl-4-sulfamoylbutanamide
CID 23588047
3-[Dimethyl-[3-(2-methylpropanoylamino)propyl]azaniumyl]propane-1-sulfonate
CID 57941901
Butanoyltaurine
CID 85956605
Calcium acetylaminopropane sulfonate
CID 87094704

Frequently Asked Questions

What is the IUPAC name of 4-(acetylsulfamoyl)-N-ethylbutanamide?
The IUPAC name of 4-(acetylsulfamoyl)-N-ethylbutanamide (CID 138964116) is 4-(acetylsulfamoyl)-N-ethylbutanamide.
What is the SMILES notation for 4-(acetylsulfamoyl)-N-ethylbutanamide?
The canonical SMILES for 4-(acetylsulfamoyl)-N-ethylbutanamide is CCNC(=O)CCCS(=O)(=O)NC(C)=O.
What is the InChIKey of 4-(acetylsulfamoyl)-N-ethylbutanamide?
The InChIKey is QOPUPGBWAOPKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-3-9-8(12)5-4-6-15(13,14)10-7(2)11/h3-6H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 4-(acetylsulfamoyl)-N-ethylbutanamide?
4-(acetylsulfamoyl)-N-ethylbutanamide has a molecular weight of 236.29 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetylsulfamoyl)-N-ethylbutanamide is sourced from PubChem (CID 138964116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).