3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

C19H27N3O5S — CID 55364440

IUPAC3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C19H27N3O5S/c23-18(22-10-1-2-11-22)8-9-20-19(24)15-5-3-7-17(13-15)28(25,26)21-14-16-6-4-12-27-16/h3,5,7,13,16,21H,1-2,4,6,8-12,14H2,(H,20,24)
InChIKeyICPIOWKINXFRBY-UHFFFAOYSA-N
MW409.51 g/mol
LogP0.89
Rot. Bonds8

About 3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 55364440) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID55364440
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Name3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C19H27N3O5S/c23-18(22-10-1-2-11-22)8-9-20-19(24)15-5-3-7-17(13-15)28(25,26)21-14-16-6-4-12-27-16/h3,5,7,13,16,21H,1-2,4,6,8-12,14H2,(H,20,24)
InChIKeyICPIOWKINXFRBY-UHFFFAOYSA-N
XLogP0.89
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24538290
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 42910636
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43005842
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 40847436
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (CID 55364440) is 3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is O=C(NCCC(=O)N1CCCC1)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is ICPIOWKINXFRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c23-18(22-10-1-2-11-22)8-9-20-19(24)15-5-3-7-17(13-15)28(25,26)21-14-16-6-4-12-27-16/h3,5,7,13,16,21H,1-2,4,6,8-12,14H2,(H,20,24).
What are the key properties of 3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 55364440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).