methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate

C14H11Cl2NO4S — CID 7164071

IUPACmethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4S/c1-20-14(19)9-4-5-22-13(9)17-12(18)7-21-11-3-2-8(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyIJWWSZWFUDEPJF-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.86
Rot. Bonds5

About methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate

methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate (PubChem CID 7164071) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate
PubChem CID7164071
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Namemethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4S/c1-20-14(19)9-4-5-22-13(9)17-12(18)7-21-11-3-2-8(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyIJWWSZWFUDEPJF-UHFFFAOYSA-N
XLogP3.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate (CID 7164071) is methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is IJWWSZWFUDEPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c1-20-14(19)9-4-5-22-13(9)17-12(18)7-21-11-3-2-8(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate?
methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 360.22 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 7164071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).