N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide

C18H26N2O5S — CID 110313233

IUPACN-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)N1CCOCC1
InChIInChI=1S/C18H26N2O5S/c1-13(2)11-16(18(22)20-7-9-25-10-8-20)19-17(21)14-5-4-6-15(12-14)26(3,23)24/h4-6,12-13,16H,7-11H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyYEJYYCDKGLFBTD-INIZCTEOSA-N
MW382.48 g/mol
LogP1.09
Rot. Bonds6

About N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide

N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide (PubChem CID 110313233) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide
PubChem CID110313233
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC NameN-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)N1CCOCC1
InChIInChI=1S/C18H26N2O5S/c1-13(2)11-16(18(22)20-7-9-25-10-8-20)19-17(21)14-5-4-6-15(12-14)26(3,23)24/h4-6,12-13,16H,7-11H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyYEJYYCDKGLFBTD-INIZCTEOSA-N
XLogP1.09
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
N-(1-bromo-4-methylpentan-2-yl)-3-methylsulfonylbenzamide
CID 114311708
3-fluoro-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 110285662
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110313232
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134
N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide
CID 51163346
(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119361822
3-(3-chlorophenyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)propanamide
CID 110625547

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide (CID 110313233) is N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide is CC(C)C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide?
The InChIKey is YEJYYCDKGLFBTD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13(2)11-16(18(22)20-7-9-25-10-8-20)19-17(21)14-5-4-6-15(12-14)26(3,23)24/h4-6,12-13,16H,7-11H2,1-3H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide?
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide has a molecular weight of 382.48 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 110313233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).