methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate

C15H15NO6S2 — CID 100548327

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
SMILESCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H15NO6S2/c1-21-13(17)10-16(24(19,20)14-8-5-9-23-14)12-7-4-3-6-11(12)15(18)22-2/h3-9H,10H2,1-2H3
InChIKeyOZJIXMDCYUUGIA-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.90
Rot. Bonds6

About methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate

methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate (PubChem CID 100548327) has the molecular formula C15H15NO6S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
PubChem CID100548327
Molecular FormulaC15H15NO6S2
Molecular Weight369.42 g/mol
Exact Mass369.03
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
SMILESCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H15NO6S2/c1-21-13(17)10-16(24(19,20)14-8-5-9-23-14)12-7-4-3-6-11(12)15(18)22-2/h3-9H,10H2,1-2H3
InChIKeyOZJIXMDCYUUGIA-UHFFFAOYSA-N
XLogP1.90
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548313
methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100551629
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
methyl 3-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 30269413
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549387
dimethyl 2-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 30270471
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117
methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548774
N,N-diethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256313

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate (CID 100548327) is methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate is COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccs1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate?
The InChIKey is OZJIXMDCYUUGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S2/c1-21-13(17)10-16(24(19,20)14-8-5-9-23-14)12-7-4-3-6-11(12)15(18)22-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate?
methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate has a molecular weight of 369.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate is sourced from PubChem (CID 100548327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).