4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide

C14H20N2O4S — CID 65374368

IUPAC4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
SMILESCCc1ccc(C(=O)NCC2CCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-2-10-5-6-11(8-13(10)21(15,18)19)14(17)16-9-12-4-3-7-20-12/h5-6,8,12H,2-4,7,9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyQLSOZXTZBTZSIG-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.81
Rot. Bonds5

About 4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide

4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide (PubChem CID 65374368) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
PubChem CID65374368
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
SMILESCCc1ccc(C(=O)NCC2CCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-2-10-5-6-11(8-13(10)21(15,18)19)14(17)16-9-12-4-3-7-20-12/h5-6,8,12H,2-4,7,9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyQLSOZXTZBTZSIG-UHFFFAOYSA-N
XLogP0.81
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 65374560
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 46798182
4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 65386263
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide
CID 65374946
3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95150216
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 17191153

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide (CID 65374368) is 4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide is CCc1ccc(C(=O)NCC2CCCO2)cc1S(N)(=O)=O.
What is the InChIKey of 4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide?
The InChIKey is QLSOZXTZBTZSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-10-5-6-11(8-13(10)21(15,18)19)14(17)16-9-12-4-3-7-20-12/h5-6,8,12H,2-4,7,9H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide?
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65374368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).