(2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide

C20H25NO7 — CID 118710043

IUPAC(2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
SMILESCc1ccccc1[C@H](Cc1ccco1)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H25NO7/c1-11-5-2-3-7-13(11)14(9-12-6-4-8-27-12)19(26)21-20-18(25)17(24)16(23)15(10-22)28-20/h2-8,14-18,20,22-25H,9-10H2,1H3,(H,21,26)/t14-,15+,16+,17-,18+,20+/m0/s1
InChIKeyYKXGHJSGVADCIS-PYCASWLRSA-N
MW391.42 g/mol
LogP-0.17
Rot. Bonds6

About (2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide

(2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide (PubChem CID 118710043) has the molecular formula C20H25NO7 and a molecular weight of 391.42 g/mol. Its IUPAC name is (2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
PubChem CID118710043
Molecular FormulaC20H25NO7
Molecular Weight391.42 g/mol
Exact Mass391.16
IUPAC Name(2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
SMILESCc1ccccc1[C@H](Cc1ccco1)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H25NO7/c1-11-5-2-3-7-13(11)14(9-12-6-4-8-27-12)19(26)21-20-18(25)17(24)16(23)15(10-22)28-20/h2-8,14-18,20,22-25H,9-10H2,1H3,(H,21,26)/t14-,15+,16+,17-,18+,20+/m0/s1
InChIKeyYKXGHJSGVADCIS-PYCASWLRSA-N
XLogP-0.17
TPSA132.39 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 5-0.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The IUPAC name of (2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide (CID 118710043) is (2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide.
What is the SMILES notation for (2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The canonical SMILES for (2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide is Cc1ccccc1[C@H](Cc1ccco1)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The InChIKey is YKXGHJSGVADCIS-PYCASWLRSA-N. The full InChI is InChI=1S/C20H25NO7/c1-11-5-2-3-7-13(11)14(9-12-6-4-8-27-12)19(26)21-20-18(25)17(24)16(23)15(10-22)28-20/h2-8,14-18,20,22-25H,9-10H2,1H3,(H,21,26)/t14-,15+,16+,17-,18+,20+/m0/s1.
What are the key properties of (2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
(2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide has a molecular weight of 391.42 g/mol, XLogP of -0.17, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(furan-2-yl)-2-(2-methylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide is sourced from PubChem (CID 118710043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).