methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C9H11NO3S — CID 2421923

IUPACmethyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C9H11NO3S/c1-6-3-4-7(14-6)9(12)10-5-8(11)13-2/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyFYJZFCOWEPLPMC-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.96
Rot. Bonds3

About methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate

methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 2421923) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID2421923
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Namemethyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C9H11NO3S/c1-6-3-4-7(14-6)9(12)10-5-8(11)13-2/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyFYJZFCOWEPLPMC-UHFFFAOYSA-N
XLogP0.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 2421923) is methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate is COC(=O)CNC(=O)c1ccc(C)s1.
What is the InChIKey of methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is FYJZFCOWEPLPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6-3-4-7(14-6)9(12)10-5-8(11)13-2/h3-4H,5H2,1-2H3,(H,10,12).
What are the key properties of methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 213.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 2421923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).