methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

C16H15Cl2NO4S — CID 2165543

IUPACmethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc(C)c1C
InChIInChI=1S/C16H15Cl2NO4S/c1-8-9(2)24-15(14(8)16(21)22-3)19-13(20)7-23-12-5-4-10(17)6-11(12)18/h4-6H,7H2,1-3H3,(H,19,20)
InChIKeyHBDIWILULSPPNR-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.48
Rot. Bonds5

About methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 2165543) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID2165543
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Namemethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc(C)c1C
InChIInChI=1S/C16H15Cl2NO4S/c1-8-9(2)24-15(14(8)16(21)22-3)19-13(20)7-23-12-5-4-10(17)6-11(12)18/h4-6H,7H2,1-3H3,(H,19,20)
InChIKeyHBDIWILULSPPNR-UHFFFAOYSA-N
XLogP4.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.48
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]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 2165543) is methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc(C)c1C.
What is the InChIKey of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is HBDIWILULSPPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-8-9(2)24-15(14(8)16(21)22-3)19-13(20)7-23-12-5-4-10(17)6-11(12)18/h4-6H,7H2,1-3H3,(H,19,20).
What are the key properties of methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 388.27 g/mol, XLogP of 4.48, 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]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 2165543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).