N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C15H22N2O4S — CID 846423

IUPACN-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCc1cccc(C)c1N(CC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-12-5-4-6-13(2)15(12)17(22(3,19)20)11-14(18)16-7-9-21-10-8-16/h4-6H,7-11H2,1-3H3
InChIKeyQHMVSANQVSVVDE-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.93
Rot. Bonds4

About N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 846423) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID846423
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCc1cccc(C)c1N(CC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-12-5-4-6-13(2)15(12)17(22(3,19)20)11-14(18)16-7-9-21-10-8-16/h4-6H,7-11H2,1-3H3
InChIKeyQHMVSANQVSVVDE-UHFFFAOYSA-N
XLogP0.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Metolachlor ethanesulfonic acid
CID 6426849
dimethachlor ESA
CID 86290104
Dimethachlor-deschloro
CID 54544998
N-(2-Morpholin-4-yl-2-oxo-ethyl)-N-phenyl-methanesulfonamide
CID 785142
N-(4-Isopropyl-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 846512
N-(2,6-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846700
N-(2,4-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846829
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 848402
N-(3-Fluoro-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 894067
2-[N-(dimethylsulfamoyl)anilino]-1-morpholin-4-ylethanone
CID 800437
N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 89659414
Morlincain
CID 53279

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 846423) is N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is Cc1cccc(C)c1N(CC(=O)N1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is QHMVSANQVSVVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-5-4-6-13(2)15(12)17(22(3,19)20)11-14(18)16-7-9-21-10-8-16/h4-6H,7-11H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 846423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).