methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate

C11H13NO5S — CID 17257191

IUPACmethyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13NO5S/c1-17-11(14)7-12-10(13)8-18(15,16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyUTXDRRIHOYERQR-UHFFFAOYSA-N
MW271.29 g/mol
LogP-0.25
Rot. Bonds5

About methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate

methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate (PubChem CID 17257191) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate
PubChem CID17257191
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Namemethyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13NO5S/c1-17-11(14)7-12-10(13)8-18(15,16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyUTXDRRIHOYERQR-UHFFFAOYSA-N
XLogP-0.25
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
CID 4669568
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
methyl 2-(benzenesulfonylmethylsulfonyl)acetate
CID 15026753
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
methyl 2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]acetate
CID 43623308
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide
CID 87023768
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
tert-butyl N-[(Z)-2-(benzenesulfonylmethyl)-3-fluoroprop-2-enyl]carbamate
CID 170972374
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate (CID 17257191) is methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate is COC(=O)CNC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate?
The InChIKey is UTXDRRIHOYERQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-17-11(14)7-12-10(13)8-18(15,16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13).
What are the key properties of methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate?
methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate has a molecular weight of 271.29 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate is sourced from PubChem (CID 17257191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).