3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide

C17H25N3O5S — CID 43020050

IUPAC3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H25N3O5S/c1-2-8-18-16(21)12-19-17(22)13-5-3-7-15(10-13)26(23,24)20-11-14-6-4-9-25-14/h3,5,7,10,14,20H,2,4,6,8-9,11-12H2,1H3,(H,18,21)(H,19,22)
InChIKeyJMFHIYVUDXUTLQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.40
Rot. Bonds9

About 3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide

3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 43020050) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID43020050
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H25N3O5S/c1-2-8-18-16(21)12-19-17(22)13-5-3-7-15(10-13)26(23,24)20-11-14-6-4-9-25-14/h3,5,7,10,14,20H,2,4,6,8-9,11-12H2,1H3,(H,18,21)(H,19,22)
InChIKeyJMFHIYVUDXUTLQ-UHFFFAOYSA-N
XLogP0.40
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75871785
3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364440
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24538290

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 43020050) is 3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is JMFHIYVUDXUTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-2-8-18-16(21)12-19-17(22)13-5-3-7-15(10-13)26(23,24)20-11-14-6-4-9-25-14/h3,5,7,10,14,20H,2,4,6,8-9,11-12H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide?
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 0.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 43020050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).