N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C18H26N2O3S — CID 25163343

IUPACN-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C18H26N2O3S/c1-13-11-20(12-14(2)23-13)18(22)16(9-10-24-3)19-17(21)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,19,21)
InChIKeyWVOSGMMLLMNESX-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.17
Rot. Bonds6

About N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 25163343) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID25163343
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C18H26N2O3S/c1-13-11-20(12-14(2)23-13)18(22)16(9-10-24-3)19-17(21)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,19,21)
InChIKeyWVOSGMMLLMNESX-UHFFFAOYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 570439
N-[1-(2-Morpholin-4-yl-ethylcarbamoyl)-2-phenyl-vinyl]-benzamide
CID 2873163
N-[1-(4-benzoylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 4963699
N-(2-keto-2-morpholino-ethyl)-3-methyl-benzamide
CID 16608759
(R)-3-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-thiazolidine-4-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide
CID 10628028
2-{[1-(2-Amino-3-mercapto-propionyl)-piperidin-4-yl]-benzoyl-amino}-4-methylsulfanyl-butyric acid methyl ester; hydrochloride
CID 44366894
N-[(2S)-1-[[(2S)-1-[[(3S)-4-methyl-1-[(2-morpholin-4-yl-2-oxoethyl)amino]-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 68305425
4-iodo-N-(2-(4-morpholinyl)ethyl)benzamide
CID 198477
N-cyclohexyl-4-(4-morpholinylmethyl)benzamide
CID 674227
N-cycloheptyl-4-(morpholin-4-ylmethyl)benzamide
CID 887036
N-[3-methyl-1-(morpholin-4-yl)-1-oxobut-2-en-2-yl]benzamide
CID 2249574

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 25163343) is N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1ccccc1)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is WVOSGMMLLMNESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-13-11-20(12-14(2)23-13)18(22)16(9-10-24-3)19-17(21)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 350.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 25163343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).