2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide

C13H18N2O5S — CID 4883084

IUPAC2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCC1CCCO1
InChIInChI=1S/C13H18N2O5S/c1-19-12-5-4-10(21(14,17)18)7-11(12)13(16)15-8-9-3-2-6-20-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyYSKUYXVYFPRVTG-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.25
Rot. Bonds5

About 2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide

2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide (PubChem CID 4883084) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
PubChem CID4883084
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCC1CCCO1
InChIInChI=1S/C13H18N2O5S/c1-19-12-5-4-10(21(14,17)18)7-11(12)13(16)15-8-9-3-2-6-20-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyYSKUYXVYFPRVTG-UHFFFAOYSA-N
XLogP0.25
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide
CID 35230864
N-(2-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115687261
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 115591271
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
2-methoxy-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 15664993
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
1-[(5-chloro-2-methoxybenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 17373498
2-[[2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 100559763

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide (CID 4883084) is 2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide?
The InChIKey is YSKUYXVYFPRVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-19-12-5-4-10(21(14,17)18)7-11(12)13(16)15-8-9-3-2-6-20-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide?
2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 4883084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).