2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C20H23N3O5S — CID 133231300

IUPAC2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H23N3O5S/c1-21-29(26,27)16-8-4-6-14(12-16)19(24)23-18-10-3-2-9-17(18)20(25)22-13-15-7-5-11-28-15/h2-4,6,8-10,12,15,21H,5,7,11,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyIWIMWBSXYFPHRR-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.76
Rot. Bonds7

About 2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide

2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 133231300) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID133231300
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H23N3O5S/c1-21-29(26,27)16-8-4-6-14(12-16)19(24)23-18-10-3-2-9-17(18)20(25)22-13-15-7-5-11-28-15/h2-4,6,8-10,12,15,21H,5,7,11,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyIWIMWBSXYFPHRR-UHFFFAOYSA-N
XLogP1.76
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 43040270
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
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2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
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3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
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2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228
N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 100620245
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321471
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 133231300) is 2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is IWIMWBSXYFPHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-21-29(26,27)16-8-4-6-14(12-16)19(24)23-18-10-3-2-9-17(18)20(25)22-13-15-7-5-11-28-15/h2-4,6,8-10,12,15,21H,5,7,11,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 417.49 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 133231300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).