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

C21H26N2O5S — CID 71693362

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
SMILESCC(C)N1C(=O)CO[C@H](c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)[C@H]1CO
InChIInChI=1S/C21H26N2O5S/c1-15(2)23-19(12-24)21(28-13-20(23)25)17-8-10-18(11-9-17)22-29(26,27)14-16-6-4-3-5-7-16/h3-11,15,19,21-22,24H,12-14H2,1-2H3/t19-,21-/m1/s1
InChIKeyDVBIPYQSHTUCJI-TZIWHRDSSA-N
MW418.52 g/mol
LogP2.30
Rot. Bonds7

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

N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide (PubChem CID 71693362) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
PubChem CID71693362
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
SMILESCC(C)N1C(=O)CO[C@H](c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)[C@H]1CO
InChIInChI=1S/C21H26N2O5S/c1-15(2)23-19(12-24)21(28-13-20(23)25)17-8-10-18(11-9-17)22-29(26,27)14-16-6-4-3-5-7-16/h3-11,15,19,21-22,24H,12-14H2,1-2H3/t19-,21-/m1/s1
InChIKeyDVBIPYQSHTUCJI-TZIWHRDSSA-N
XLogP2.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide (CID 71693362) is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide is CC(C)N1C(=O)CO[C@H](c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)[C@H]1CO.
What is the InChIKey of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
The InChIKey is DVBIPYQSHTUCJI-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-15(2)23-19(12-24)21(28-13-20(23)25)17-8-10-18(11-9-17)22-29(26,27)14-16-6-4-3-5-7-16/h3-11,15,19,21-22,24H,12-14H2,1-2H3/t19-,21-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 71693362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).