methyl 2-benzamido-2-methylsulfonylacetate

C11H13NO5S — CID 121218020

IUPACmethyl 2-benzamido-2-methylsulfonylacetate
SMILESCOC(=O)C(NC(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C11H13NO5S/c1-17-11(14)10(18(2,15)16)12-9(13)8-6-4-3-5-7-8/h3-7,10H,1-2H3,(H,12,13)
InChIKeyYASWKPPLEQGOSF-UHFFFAOYSA-N
MW271.29 g/mol
LogP-0.04
Rot. Bonds4

About methyl 2-benzamido-2-methylsulfonylacetate

methyl 2-benzamido-2-methylsulfonylacetate (PubChem CID 121218020) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is methyl 2-benzamido-2-methylsulfonylacetate.

Molecular Properties

Compound Namemethyl 2-benzamido-2-methylsulfonylacetate
PubChem CID121218020
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Namemethyl 2-benzamido-2-methylsulfonylacetate
SMILESCOC(=O)C(NC(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C11H13NO5S/c1-17-11(14)10(18(2,15)16)12-9(13)8-6-4-3-5-7-8/h3-7,10H,1-2H3,(H,12,13)
InChIKeyYASWKPPLEQGOSF-UHFFFAOYSA-N
XLogP-0.04
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 3-amino-2-benzamido-3-methylbutanoate
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(1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide
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methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
CID 68891597
CID 68891597
methyl 3-benzamido-4,4,4-trifluoro-2-hydroxybutanoate
CID 12042653
methyl 2-benzamido-4-methylpent-4-enoate
CID 14493675
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-2-methylsulfonylacetate?
The IUPAC name of methyl 2-benzamido-2-methylsulfonylacetate (CID 121218020) is methyl 2-benzamido-2-methylsulfonylacetate.
What is the SMILES notation for methyl 2-benzamido-2-methylsulfonylacetate?
The canonical SMILES for methyl 2-benzamido-2-methylsulfonylacetate is COC(=O)C(NC(=O)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of methyl 2-benzamido-2-methylsulfonylacetate?
The InChIKey is YASWKPPLEQGOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-17-11(14)10(18(2,15)16)12-9(13)8-6-4-3-5-7-8/h3-7,10H,1-2H3,(H,12,13).
What are the key properties of methyl 2-benzamido-2-methylsulfonylacetate?
methyl 2-benzamido-2-methylsulfonylacetate has a molecular weight of 271.29 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-2-methylsulfonylacetate is sourced from PubChem (CID 121218020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).