4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide

C17H24N2O4S — CID 91776814

IUPAC4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1ccc(SCCO)cc1
InChIInChI=1S/C17H24N2O4S/c20-7-10-24-14-3-1-13(2-4-14)17(21)18-15-11-23-12-16(15)19-5-8-22-9-6-19/h1-4,15-16,20H,5-12H2,(H,18,21)/t15-,16-/m0/s1
InChIKeyNMPXSXBDDHPLCG-HOTGVXAUSA-N
MW352.46 g/mol
LogP0.60
Rot. Bonds6

About 4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide

4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide (PubChem CID 91776814) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide
PubChem CID91776814
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1ccc(SCCO)cc1
InChIInChI=1S/C17H24N2O4S/c20-7-10-24-14-3-1-13(2-4-14)17(21)18-15-11-23-12-16(15)19-5-8-22-9-6-19/h1-4,15-16,20H,5-12H2,(H,18,21)/t15-,16-/m0/s1
InChIKeyNMPXSXBDDHPLCG-HOTGVXAUSA-N
XLogP0.60
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91762413
3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide
CID 133130454
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119070601
2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide
CID 122571640
N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 91792898
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
5-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide
CID 91787977
N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]-2-(4-phenylphenyl)acetamide
CID 133265705
2-(2-hydroxyphenoxy)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 122561904
6-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-3-carboxamide
CID 133260544
6-cyano-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 91843333
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 122560536

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide (CID 91776814) is 4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide is O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1ccc(SCCO)cc1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide?
The InChIKey is NMPXSXBDDHPLCG-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-7-10-24-14-3-1-13(2-4-14)17(21)18-15-11-23-12-16(15)19-5-8-22-9-6-19/h1-4,15-16,20H,5-12H2,(H,18,21)/t15-,16-/m0/s1.
What are the key properties of 4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide?
4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide has a molecular weight of 352.46 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide is sourced from PubChem (CID 91776814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).