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

C19H22N2O5S — CID 78150686

IUPACN-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
SMILESCN1C(=O)COC(c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1CO
InChIInChI=1S/C19H22N2O5S/c1-21-17(11-22)19(26-12-18(21)23)15-7-9-16(10-8-15)20-27(24,25)13-14-5-3-2-4-6-14/h2-10,17,19-20,22H,11-13H2,1H3
InChIKeyFFSXNILHNSXJON-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.52
Rot. Bonds6

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

N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide (PubChem CID 78150686) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
PubChem CID78150686
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
SMILESCN1C(=O)COC(c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1CO
InChIInChI=1S/C19H22N2O5S/c1-21-17(11-22)19(26-12-18(21)23)15-7-9-16(10-8-15)20-27(24,25)13-14-5-3-2-4-6-14/h2-10,17,19-20,22H,11-13H2,1H3
InChIKeyFFSXNILHNSXJON-UHFFFAOYSA-N
XLogP1.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide (CID 78150686) is N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide is CN1C(=O)COC(c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1CO.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
The InChIKey is FFSXNILHNSXJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-21-17(11-22)19(26-12-18(21)23)15-7-9-16(10-8-15)20-27(24,25)13-14-5-3-2-4-6-14/h2-10,17,19-20,22H,11-13H2,1H3.
What are the key properties of N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide?
N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 78150686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).