N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide

C19H23NO5S — CID 137410513

IUPACN-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(SCc2ccc3ccccc3c2)OC(CO)C(O)C1O
InChIInChI=1S/C19H23NO5S/c1-11(22)20-16-18(24)17(23)15(9-21)25-19(16)26-10-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,15-19,21,23-24H,9-10H2,1H3,(H,20,22)
InChIKeyFFPKWZKVHNZRJD-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.02
Rot. Bonds5

About N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide (PubChem CID 137410513) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide
PubChem CID137410513
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(SCc2ccc3ccccc3c2)OC(CO)C(O)C1O
InChIInChI=1S/C19H23NO5S/c1-11(22)20-16-18(24)17(23)15(9-21)25-19(16)26-10-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,15-19,21,23-24H,9-10H2,1H3,(H,20,22)
InChIKeyFFPKWZKVHNZRJD-UHFFFAOYSA-N
XLogP1.02
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide 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

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxynaphthalen-2-yl)oxyoxan-3-yl]acetamide
CID 118070349
N-[2-(cyanomethylsulfanyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 59274064
N-[(2S,3S,4R,5S,6R)-2-(4-aminophenyl)sulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 56994174
N-[2-hexylsulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 123420541
N-[(2S,3R,4R,5S,6R)-2-(4-chlorophenyl)sulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 102256816
N-[(2S,3R,4R,5S,6R)-2-(3,4-difluorophenyl)sulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11508530
N-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
CID 71717834
N-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
CID 6988277
methyl 3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoate
CID 166480175
N-[(3R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methylsulfanyloxan-4-yl]naphthalene-2-carboxamide
CID 71171534
N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methylphenyl)sulfonylsulfanyloxan-3-yl]acetamide
CID 101454043
[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxan-4-yl] acetate
CID 102536824

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide?
The IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide (CID 137410513) is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide is CC(=O)NC1C(SCc2ccc3ccccc3c2)OC(CO)C(O)C1O.
What is the InChIKey of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide?
The InChIKey is FFPKWZKVHNZRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-11(22)20-16-18(24)17(23)15(9-21)25-19(16)26-10-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,15-19,21,23-24H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide?
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide has a molecular weight of 377.46 g/mol, XLogP of 1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide is sourced from PubChem (CID 137410513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).