N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide

C11H14N2O4S — CID 61251053

IUPACN-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)CC(C)=O)c1
InChIInChI=1S/C11H14N2O4S/c1-8(14)6-11(15)13-9-4-3-5-10(7-9)18(16,17)12-2/h3-5,7,12H,6H2,1-2H3,(H,13,15)
InChIKeySPYWTKWUGKWIOL-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.51
Rot. Bonds5

About N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide

N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide (PubChem CID 61251053) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
PubChem CID61251053
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)CC(C)=O)c1
InChIInChI=1S/C11H14N2O4S/c1-8(14)6-11(15)13-9-4-3-5-10(7-9)18(16,17)12-2/h3-5,7,12H,6H2,1-2H3,(H,13,15)
InChIKeySPYWTKWUGKWIOL-UHFFFAOYSA-N
XLogP0.51
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-N-[3-(methylsulfamoyl)phenyl]-3-oxopentanamide
CID 88797658
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60853256
3-(tert-butylamino)-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 60849734
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 107903680
(2R)-2-amino-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 51885688
3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
CID 61250335
2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 79797461
(E)-3-hydroxy-N-[3-(methylsulfamoyl)phenyl]-2-nitrosobut-2-enamide
CID 166845008
2-[3-(3-oxobutanoylamino)phenyl]sulfonylethyl dihydrogen phosphate
CID 88793470

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide?
The IUPAC name of N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide (CID 61251053) is N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide.
What is the SMILES notation for N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide?
The canonical SMILES for N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide is CNS(=O)(=O)c1cccc(NC(=O)CC(C)=O)c1.
What is the InChIKey of N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide?
The InChIKey is SPYWTKWUGKWIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-8(14)6-11(15)13-9-4-3-5-10(7-9)18(16,17)12-2/h3-5,7,12H,6H2,1-2H3,(H,13,15).
What are the key properties of N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide?
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide has a molecular weight of 270.31 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide is sourced from PubChem (CID 61251053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).