methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate

C13H19NO5S — CID 126815845

IUPACmethyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate
SMILESCCc1ccccc1S(=O)(=O)NC(C)(CO)C(=O)OC
InChIInChI=1S/C13H19NO5S/c1-4-10-7-5-6-8-11(10)20(17,18)14-13(2,9-15)12(16)19-3/h5-8,14-15H,4,9H2,1-3H3
InChIKeyLMMMQUBTCYXDLZ-UHFFFAOYSA-N
MW301.36 g/mol
LogP0.45
Rot. Bonds6

About methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate

methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate (PubChem CID 126815845) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate
PubChem CID126815845
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Namemethyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate
SMILESCCc1ccccc1S(=O)(=O)NC(C)(CO)C(=O)OC
InChIInChI=1S/C13H19NO5S/c1-4-10-7-5-6-8-11(10)20(17,18)14-13(2,9-15)12(16)19-3/h5-8,14-15H,4,9H2,1-3H3
InChIKeyLMMMQUBTCYXDLZ-UHFFFAOYSA-N
XLogP0.45
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-(4-hydroxybut-2-ynyl)benzenesulfonamide
CID 127266845
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431089
methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
CID 93045702
2-ethyl-N-(1-hydroxybut-3-yn-2-yl)benzenesulfonamide
CID 127266243
methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate
CID 62391585
N-(2-amino-2-methylpropyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711490
methyl 3-hydroxy-2-methyl-2-(thieno[3,2-b]pyridin-6-ylsulfonylamino)propanoate
CID 126815847
methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate
CID 94815589
methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate
CID 43624461
N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711865
methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate
CID 126976728

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate (CID 126815845) is methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate is CCc1ccccc1S(=O)(=O)NC(C)(CO)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate?
The InChIKey is LMMMQUBTCYXDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-4-10-7-5-6-8-11(10)20(17,18)14-13(2,9-15)12(16)19-3/h5-8,14-15H,4,9H2,1-3H3.
What are the key properties of methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate?
methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate has a molecular weight of 301.36 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethylphenyl)sulfonylamino]-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 126815845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).