N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide

C15H22N2O5S — CID 56922571

IUPACN-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide
SMILESCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H22N2O5S/c1-12(15(18)17-8-10-21-11-9-17)22-14-6-4-13(5-7-14)16(2)23(3,19)20/h4-7,12H,8-11H2,1-3H3
InChIKeyOBOQMUCHHWTPGF-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.71
Rot. Bonds5

About N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide

N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide (PubChem CID 56922571) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide
PubChem CID56922571
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide
SMILESCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H22N2O5S/c1-12(15(18)17-8-10-21-11-9-17)22-14-6-4-13(5-7-14)16(2)23(3,19)20/h4-7,12H,8-11H2,1-3H3
InChIKeyOBOQMUCHHWTPGF-UHFFFAOYSA-N
XLogP0.71
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide
CID 95554661
N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 133202386
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide
CID 100521021
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 63367920
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 78934055
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 133261924

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide (CID 56922571) is N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide is CC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCOCC1.
What is the InChIKey of N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide?
The InChIKey is OBOQMUCHHWTPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-12(15(18)17-8-10-21-11-9-17)22-14-6-4-13(5-7-14)16(2)23(3,19)20/h4-7,12H,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide?
N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide is sourced from PubChem (CID 56922571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).