methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

C18H20N2O5S — CID 1130974

IUPACmethyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCCOc1ccc(NC(=O)c2sc(NC(C)=O)c(C(=O)OC)c2C)cc1
InChIInChI=1S/C18H20N2O5S/c1-5-25-13-8-6-12(7-9-13)20-16(22)15-10(2)14(18(23)24-4)17(26-15)19-11(3)21/h6-9H,5H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyBKJFFAKTKANUDM-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.45
Rot. Bonds6

About methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (PubChem CID 1130974) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
PubChem CID1130974
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCCOc1ccc(NC(=O)c2sc(NC(C)=O)c(C(=O)OC)c2C)cc1
InChIInChI=1S/C18H20N2O5S/c1-5-25-13-8-6-12(7-9-13)20-16(22)15-10(2)14(18(23)24-4)17(26-15)19-11(3)21/h6-9H,5H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyBKJFFAKTKANUDM-UHFFFAOYSA-N
XLogP3.45
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (CID 1130974) is methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is CCOc1ccc(NC(=O)c2sc(NC(C)=O)c(C(=O)OC)c2C)cc1.
What is the InChIKey of methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The InChIKey is BKJFFAKTKANUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-5-25-13-8-6-12(7-9-13)20-16(22)15-10(2)14(18(23)24-4)17(26-15)19-11(3)21/h6-9H,5H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-5-[(4-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 1130974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).