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

C14H19NO5S — CID 3606867

IUPACN-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide
SMILESCC(=O)NC1C(Sc2ccccc2)OC(CO)C(O)C1O
InChIInChI=1S/C14H19NO5S/c1-8(17)15-11-13(19)12(18)10(7-16)20-14(11)21-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)
InChIKeyFRBANKZKTRTKBB-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.28
Rot. Bonds4

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

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide (PubChem CID 3606867) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide
PubChem CID3606867
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide
SMILESCC(=O)NC1C(Sc2ccccc2)OC(CO)C(O)C1O
InChIInChI=1S/C14H19NO5S/c1-8(17)15-11-13(19)12(18)10(7-16)20-14(11)21-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)
InChIKeyFRBANKZKTRTKBB-UHFFFAOYSA-N
XLogP-0.28
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-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-[[3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enyl]sulfanyloxan-2-yl]methyl]butanamide
CID 20258421
N-((2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(phenylthio)tetrahydro-2H-pyran-3-yl)acetamide
CID 7573794
N-((2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(phenylthio)tetrahydro-2H-pyran-3-yl)acetamide
CID 11908813
N-[[3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enyl]sulfanyloxan-2-yl]methyl]acetamide
CID 20258414
Benzyl 2-acetamido-2-deoxy-1-thio-beta-D-glucopyranoside
CID 46885357
(2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol
CID 46885358
(5-Acetamido-3,4-diacetyloxy-6-phenylsulfanyloxan-2-yl)methyl acetate
CID 3777629
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-phenylsulfanyl-5-[(2,2,2-trichloroacetyl)amino]oxan-2-yl]methyl acetate
CID 10392583
[(3R,4R,6S)-3,4-diacetyloxy-6-phenylsulfanyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 59624113
[(3S,4R,6S)-3,4-diacetyloxy-6-phenylsulfanyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 89000499
[(3aR,4S,6R,7S,7aR)-7-acetyloxy-2-oxo-4-phenylsulfanyl-3,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazol-6-yl]methyl acetate
CID 11222754
(2R,3S,4R,5S,6S)-5-amino-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol
CID 90811250

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide?
The IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide (CID 3606867) is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide.
What is the SMILES notation for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide?
The canonical SMILES for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide is CC(=O)NC1C(Sc2ccccc2)OC(CO)C(O)C1O.
What is the InChIKey of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide?
The InChIKey is FRBANKZKTRTKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-8(17)15-11-13(19)12(18)10(7-16)20-14(11)21-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17).
What are the key properties of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide?
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyloxan-3-yl]acetamide has a molecular weight of 313.38 g/mol, XLogP of -0.28, 4 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-phenylsulfanyloxan-3-yl]acetamide is sourced from PubChem (CID 3606867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).