N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide

C15H22N2O8S — CID 166630235

IUPACN-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide
SMILESCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H22N2O8S/c1-2-24-15-11(13(20)12(19)10(7-18)25-15)17-14(21)8-3-5-9(6-4-8)26(16,22)23/h3-6,10-13,15,18-20H,2,7H2,1H3,(H,17,21)(H2,16,22,23)/t10-,11-,12-,13-,15-/m1/s1
InChIKeyGURZUWFSGGFJLA-FTQJZPFOSA-N
MW390.41 g/mol
LogP-2.09
Rot. Bonds6

About N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide

N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide (PubChem CID 166630235) has the molecular formula C15H22N2O8S and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide
PubChem CID166630235
Molecular FormulaC15H22N2O8S
Molecular Weight390.41 g/mol
Exact Mass390.11
IUPAC NameN-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide
SMILESCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H22N2O8S/c1-2-24-15-11(13(20)12(19)10(7-18)25-15)17-14(21)8-3-5-9(6-4-8)26(16,22)23/h3-6,10-13,15,18-20H,2,7H2,1H3,(H,17,21)(H2,16,22,23)/t10-,11-,12-,13-,15-/m1/s1
InChIKeyGURZUWFSGGFJLA-FTQJZPFOSA-N
XLogP-2.09
TPSA168.41 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide with MolForge

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Related Compounds

N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide
CID 164609995
4-sulfamoyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 164613293
4-sulfamoyl-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 164619991
4-sulfamoyl-N-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]benzamide
CID 164624530
4-sulfamoyl-N-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 164625566
4-sulfamoyl-N-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]benzamide
CID 168285884
4-sulfamoyl-N-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168291977
N-[(3R,4R,5S,6R)-6-(benzenesulfonamidomethyl)-2,4,5-trihydroxyoxan-3-yl]-3-phenylbenzamide
CID 57411333
2-Deoxy-2-((hydroxy(phenyl)methylidene)amino)hexopyranose
CID 253013
N-[(3R,4R,5S,6R)-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-trihydroxyoxan-3-yl]-3-phenylbenzamide
CID 127051362
4-sulfamoyl-N-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]benzamide
CID 164616870
methyl (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(4-sulfamoylbenzoyl)amino]oxane-2-carboxylate
CID 164623653

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide (CID 166630235) is N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide is CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide?
The InChIKey is GURZUWFSGGFJLA-FTQJZPFOSA-N. The full InChI is InChI=1S/C15H22N2O8S/c1-2-24-15-11(13(20)12(19)10(7-18)25-15)17-14(21)8-3-5-9(6-4-8)26(16,22)23/h3-6,10-13,15,18-20H,2,7H2,1H3,(H,17,21)(H2,16,22,23)/t10-,11-,12-,13-,15-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide?
N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide has a molecular weight of 390.41 g/mol, XLogP of -2.09, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-sulfamoylbenzamide is sourced from PubChem (CID 166630235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).