methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate

C16H15NO5S — CID 894944

IUPACmethyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H15NO5S/c1-21-16(20)12-6-4-11(5-7-12)10-22-14(18)9-17-15(19)13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyRIKAVFQZMWCTMY-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.01
Rot. Bonds6

About methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate

methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate (PubChem CID 894944) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate
PubChem CID894944
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC Namemethyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H15NO5S/c1-21-16(20)12-6-4-11(5-7-12)10-22-14(18)9-17-15(19)13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyRIKAVFQZMWCTMY-UHFFFAOYSA-N
XLogP2.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate (CID 894944) is methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate is COC(=O)c1ccc(COC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate?
The InChIKey is RIKAVFQZMWCTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-21-16(20)12-6-4-11(5-7-12)10-22-14(18)9-17-15(19)13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,19).
What are the key properties of methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate?
methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate has a molecular weight of 333.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate is sourced from PubChem (CID 894944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).