N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide

C17H23N3O4S — CID 9453861

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-2-10-19-25(23,24)15-7-5-14(6-8-15)17(22)18-11-9-16(21)20-12-3-4-13-20/h2,5-8,19H,1,3-4,9-13H2,(H,18,22)
InChIKeyGGODCSSNVHVOGU-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.89
Rot. Bonds8

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 9453861) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID9453861
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-2-10-19-25(23,24)15-7-5-14(6-8-15)17(22)18-11-9-16(21)20-12-3-4-13-20/h2,5-8,19H,1,3-4,9-13H2,(H,18,22)
InChIKeyGGODCSSNVHVOGU-UHFFFAOYSA-N
XLogP0.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55854236
4-[(4-methylphenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364351
[2-(azocan-1-yl)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 8568392
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732
N-[4-(prop-2-enylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2990833
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 17473471
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 31098524

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide (CID 9453861) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is GGODCSSNVHVOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-2-10-19-25(23,24)15-7-5-14(6-8-15)17(22)18-11-9-16(21)20-12-3-4-13-20/h2,5-8,19H,1,3-4,9-13H2,(H,18,22).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 365.46 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 9453861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).