N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide

C17H26N2O4S — CID 109063938

IUPACN-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H26N2O4S/c1-2-3-4-10-19-24(21,22)16-9-5-7-14(12-16)17(20)18-13-15-8-6-11-23-15/h5,7,9,12,15,19H,2-4,6,8,10-11,13H2,1H3,(H,18,20)
InChIKeyDZFQMBVOQHTYEV-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.06
Rot. Bonds9

About N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide

N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide (PubChem CID 109063938) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
PubChem CID109063938
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H26N2O4S/c1-2-3-4-10-19-24(21,22)16-9-5-7-14(12-16)17(20)18-13-15-8-6-11-23-15/h5,7,9,12,15,19H,2-4,6,8,10-11,13H2,1H3,(H,18,20)
InChIKeyDZFQMBVOQHTYEV-UHFFFAOYSA-N
XLogP2.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 97208205
N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51339257
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide (CID 109063938) is N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide is CCCCCNS(=O)(=O)c1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide?
The InChIKey is DZFQMBVOQHTYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-2-3-4-10-19-24(21,22)16-9-5-7-14(12-16)17(20)18-13-15-8-6-11-23-15/h5,7,9,12,15,19H,2-4,6,8,10-11,13H2,1H3,(H,18,20).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide?
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide has a molecular weight of 354.47 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide is sourced from PubChem (CID 109063938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).