N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide

C18H20N2O5S — CID 71693250

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
SMILESO=C1CO[C@H](c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)[C@@H](CO)N1
InChIInChI=1S/C18H20N2O5S/c21-10-16-18(25-11-17(22)19-16)14-6-8-15(9-7-14)20-26(23,24)12-13-4-2-1-3-5-13/h1-9,16,18,20-21H,10-12H2,(H,19,22)/t16-,18-/m1/s1
InChIKeyJONUKKICFGTHJG-SJLPKXTDSA-N
MW376.43 g/mol
LogP1.18
Rot. Bonds6

About N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide

N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide (PubChem CID 71693250) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
PubChem CID71693250
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
SMILESO=C1CO[C@H](c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)[C@@H](CO)N1
InChIInChI=1S/C18H20N2O5S/c21-10-16-18(25-11-17(22)19-16)14-6-8-15(9-7-14)20-26(23,24)12-13-4-2-1-3-5-13/h1-9,16,18,20-21H,10-12H2,(H,19,22)/t16-,18-/m1/s1
InChIKeyJONUKKICFGTHJG-SJLPKXTDSA-N
XLogP1.18
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide (CID 71693250) is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide is O=C1CO[C@H](c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)[C@@H](CO)N1.
What is the InChIKey of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
The InChIKey is JONUKKICFGTHJG-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H20N2O5S/c21-10-16-18(25-11-17(22)19-16)14-6-8-15(9-7-14)20-26(23,24)12-13-4-2-1-3-5-13/h1-9,16,18,20-21H,10-12H2,(H,19,22)/t16-,18-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 71693250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).