4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide

C10H17N3O4S — CID 138964149

IUPAC4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide
SMILESCCNC(=O)CCCS(=O)(=O)N(CC#N)C(C)=O
InChIInChI=1S/C10H17N3O4S/c1-3-12-10(15)5-4-8-18(16,17)13(7-6-11)9(2)14/h3-5,7-8H2,1-2H3,(H,12,15)
InChIKeyAPAOEWBNHRPKGI-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.40
Rot. Bonds7

About 4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide

4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide (PubChem CID 138964149) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide.

Molecular Properties

Compound Name4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide
PubChem CID138964149
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide
SMILESCCNC(=O)CCCS(=O)(=O)N(CC#N)C(C)=O
InChIInChI=1S/C10H17N3O4S/c1-3-12-10(15)5-4-8-18(16,17)13(7-6-11)9(2)14/h3-5,7-8H2,1-2H3,(H,12,15)
InChIKeyAPAOEWBNHRPKGI-UHFFFAOYSA-N
XLogP-0.40
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide?
The IUPAC name of 4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide (CID 138964149) is 4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide.
What is the SMILES notation for 4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide?
The canonical SMILES for 4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide is CCNC(=O)CCCS(=O)(=O)N(CC#N)C(C)=O.
What is the InChIKey of 4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide?
The InChIKey is APAOEWBNHRPKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-3-12-10(15)5-4-8-18(16,17)13(7-6-11)9(2)14/h3-5,7-8H2,1-2H3,(H,12,15).
What are the key properties of 4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide?
4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide has a molecular weight of 275.33 g/mol, XLogP of -0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(cyanomethyl)sulfamoyl]-N-ethylbutanamide is sourced from PubChem (CID 138964149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).