N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

C16H24N2O4S — CID 2961332

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12-5-7-15(8-6-12)23(20,21)17(4)11-16(19)18-9-13(2)22-14(3)10-18/h5-8,13-14H,9-11H2,1-4H3
InChIKeyQCYHNZGVVYGTBE-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.25
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 2961332) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
PubChem CID2961332
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12-5-7-15(8-6-12)23(20,21)17(4)11-16(19)18-9-13(2)22-14(3)10-18/h5-8,13-14H,9-11H2,1-4H3
InChIKeyQCYHNZGVVYGTBE-UHFFFAOYSA-N
XLogP1.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
4-fluoro-2-methyl-N,N-bis(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 2355270
4-[(4-Methylphenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 6469994
1,4-Bis[(4-methylphenyl)sulfonyl]tetrahydropyrazine-2,5-dione
CID 285263
Ethyl 4-[(4-methylphenyl)sulfonyl]-1-piperazinecarboxylate
CID 720863
1-[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-2-morpholin-4-yl-ethanone
CID 654303
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
N-cyclohexyl-2,4,6-trimethyl-N-[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide (non-preferred name)
CID 2202518
4-methyl-N,N-bis[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide (non-preferred name)
CID 2204445
ethyl 4-{N-cyclohexyl-N-[(4-methylphenyl)sulfonyl]glycyl}piperazine-1-carboxylate
CID 2925960
(E)-1-(2,6-dimethylpiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
CID 6020328
{4-[(4-Butylphenyl)sulfonyl]piperazin-1-yl}(tetrahydrofuran-2-yl)methanone
CID 6465848

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (CID 2961332) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is QCYHNZGVVYGTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-5-7-15(8-6-12)23(20,21)17(4)11-16(19)18-9-13(2)22-14(3)10-18/h5-8,13-14H,9-11H2,1-4H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2961332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).