methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate

C19H28N2O5S — CID 55609673

IUPACmethyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2C)ccc1C
InChIInChI=1S/C19H28N2O5S/c1-13-9-10-15(27(24,25)21-11-7-6-8-14(21)2)12-16(13)17(22)20-19(3,4)18(23)26-5/h9-10,12,14H,6-8,11H2,1-5H3,(H,20,22)
InChIKeyYIBJSSRTOGSKSF-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.24
Rot. Bonds5

About methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate

methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate (PubChem CID 55609673) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
PubChem CID55609673
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Namemethyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2C)ccc1C
InChIInChI=1S/C19H28N2O5S/c1-13-9-10-15(27(24,25)21-11-7-6-8-14(21)2)12-16(13)17(22)20-19(3,4)18(23)26-5/h9-10,12,14H,6-8,11H2,1-5H3,(H,20,22)
InChIKeyYIBJSSRTOGSKSF-UHFFFAOYSA-N
XLogP2.24
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate with MolForge

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Related Compounds

N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
methyl (2S)-3-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]butanoate
CID 55942554
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55389570
(3R)-3-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]butanoic acid
CID 97314683
methyl 3-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 55515320
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010325
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119616294
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55388786
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 47729092

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate (CID 55609673) is methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2C)ccc1C.
What is the InChIKey of methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate?
The InChIKey is YIBJSSRTOGSKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-13-9-10-15(27(24,25)21-11-7-6-8-14(21)2)12-16(13)17(22)20-19(3,4)18(23)26-5/h9-10,12,14H,6-8,11H2,1-5H3,(H,20,22).
What are the key properties of methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate?
methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate has a molecular weight of 396.51 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate is sourced from PubChem (CID 55609673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).