N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide

C15H21N3O3S — CID 24981306

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C15H21N3O3S/c1-15(2,3)14(19)17-11-6-4-7-12(10-11)22(20,21)18-13-8-5-9-16-13/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLODRCCKGQAGLSZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.14
Rot. Bonds3

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 24981306) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide
PubChem CID24981306
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C15H21N3O3S/c1-15(2,3)14(19)17-11-6-4-7-12(10-11)22(20,21)18-13-8-5-9-16-13/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLODRCCKGQAGLSZ-UHFFFAOYSA-N
XLogP2.14
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide (CID 24981306) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is LODRCCKGQAGLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-15(2,3)14(19)17-11-6-4-7-12(10-11)22(20,21)18-13-8-5-9-16-13/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 323.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24981306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).