methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate

C17H17NO5S — CID 2578762

IUPACmethyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C17H17NO5S/c1-11-3-8-14(24-11)16(20)18-9-15(19)23-10-12-4-6-13(7-5-12)17(21)22-2/h3-8H,9-10H2,1-2H3,(H,18,20)
InChIKeyUGSWHEBIWYSEDX-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.32
Rot. Bonds6

About methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate

methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate (PubChem CID 2578762) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate
PubChem CID2578762
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Namemethyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C17H17NO5S/c1-11-3-8-14(24-11)16(20)18-9-15(19)23-10-12-4-6-13(7-5-12)17(21)22-2/h3-8H,9-10H2,1-2H3,(H,18,20)
InChIKeyUGSWHEBIWYSEDX-UHFFFAOYSA-N
XLogP2.32
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate (CID 2578762) is methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate is COC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate?
The InChIKey is UGSWHEBIWYSEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-11-3-8-14(24-11)16(20)18-9-15(19)23-10-12-4-6-13(7-5-12)17(21)22-2/h3-8H,9-10H2,1-2H3,(H,18,20).
What are the key properties of methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate?
methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate has a molecular weight of 347.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate is sourced from PubChem (CID 2578762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).