3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide

C18H20N2O5S — CID 86817672

IUPAC3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC3COC3)cc2)c1
InChIInChI=1S/C18H20N2O5S/c1-2-19-26(22,23)17-5-3-4-13(10-17)18(21)20-14-6-8-15(9-7-14)25-16-11-24-12-16/h3-10,16,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyQNMTVHAAGBXAOV-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.01
Rot. Bonds7

About 3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide

3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide (PubChem CID 86817672) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide
PubChem CID86817672
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC3COC3)cc2)c1
InChIInChI=1S/C18H20N2O5S/c1-2-19-26(22,23)17-5-3-4-13(10-17)18(21)20-14-6-8-15(9-7-14)25-16-11-24-12-16/h3-10,16,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyQNMTVHAAGBXAOV-UHFFFAOYSA-N
XLogP2.01
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
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3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
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3-(ethylsulfamoyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
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N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062704
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CID 109061917

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide (CID 86817672) is 3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide is CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC3COC3)cc2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide?
The InChIKey is QNMTVHAAGBXAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-2-19-26(22,23)17-5-3-4-13(10-17)18(21)20-14-6-8-15(9-7-14)25-16-11-24-12-16/h3-10,16,19H,2,11-12H2,1H3,(H,20,21).
What are the key properties of 3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide?
3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide has a molecular weight of 376.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide is sourced from PubChem (CID 86817672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).