2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide

C19H29N3O7S — CID 25390453

IUPAC2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O)NCCN1CCOCC1
InChIInChI=1S/C19H29N3O7S/c23-17(20-6-7-22-8-10-28-11-9-22)12-15-18(24)19(25)16(29-15)13-21-30(26,27)14-4-2-1-3-5-14/h1-5,15-16,18-19,21,24-25H,6-13H2,(H,20,23)/t15-,16+,18-,19+/m0/s1
InChIKeyAXTUEBCZBSNCLY-OGWHTMIXSA-N
MW443.52 g/mol
LogP-1.71
Rot. Bonds9

About 2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 25390453) has the molecular formula C19H29N3O7S and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID25390453
Molecular FormulaC19H29N3O7S
Molecular Weight443.52 g/mol
Exact Mass443.17
IUPAC Name2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O)NCCN1CCOCC1
InChIInChI=1S/C19H29N3O7S/c23-17(20-6-7-22-8-10-28-11-9-22)12-15-18(24)19(25)16(29-15)13-21-30(26,27)14-4-2-1-3-5-14/h1-5,15-16,18-19,21,24-25H,6-13H2,(H,20,23)/t15-,16+,18-,19+/m0/s1
InChIKeyAXTUEBCZBSNCLY-OGWHTMIXSA-N
XLogP-1.71
TPSA137.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 25390453) is 2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O)NCCN1CCOCC1.
What is the InChIKey of 2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is AXTUEBCZBSNCLY-OGWHTMIXSA-N. The full InChI is InChI=1S/C19H29N3O7S/c23-17(20-6-7-22-8-10-28-11-9-22)12-15-18(24)19(25)16(29-15)13-21-30(26,27)14-4-2-1-3-5-14/h1-5,15-16,18-19,21,24-25H,6-13H2,(H,20,23)/t15-,16+,18-,19+/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 443.52 g/mol, XLogP of -1.71, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 25390453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).