2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone

C13H18N2O4S — CID 28579517

IUPAC2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
SMILESCS(=O)(=O)c1ccc(NCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)12-4-2-11(3-5-12)14-10-13(16)15-6-8-19-9-7-15/h2-5,14H,6-10H2,1H3
InChIKeyRGSAQEMVEDZKKL-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.36
Rot. Bonds4

About 2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone

2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone (PubChem CID 28579517) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
PubChem CID28579517
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
SMILESCS(=O)(=O)c1ccc(NCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-20(17,18)12-4-2-11(3-5-12)14-10-13(16)15-6-8-19-9-7-15/h2-5,14H,6-10H2,1H3
InChIKeyRGSAQEMVEDZKKL-UHFFFAOYSA-N
XLogP0.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone
CID 54821789
1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone
CID 54821508
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4009166
2-[(1-methylpyrazol-4-yl)amino]-1-morpholin-4-ylethanone
CID 79778249
2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone
CID 103579710
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
CID 113242520
2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone
CID 133490707
1-morpholin-4-yl-2-(3-piperidin-1-ylsulfonylanilino)ethanone
CID 55345366
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide
CID 30538950

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone (CID 28579517) is 2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone is CS(=O)(=O)c1ccc(NCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone?
The InChIKey is RGSAQEMVEDZKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-20(17,18)12-4-2-11(3-5-12)14-10-13(16)15-6-8-19-9-7-15/h2-5,14H,6-10H2,1H3.
What are the key properties of 2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone?
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone has a molecular weight of 298.36 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 28579517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).