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

C16H15FN2O4S — CID 1131000

IUPACmethyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(C)=O)sc(C(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C16H15FN2O4S/c1-8-12(16(22)23-3)15(18-9(2)20)24-13(8)14(21)19-11-7-5-4-6-10(11)17/h4-7H,1-3H3,(H,18,20)(H,19,21)
InChIKeyWILOKGVUVZIMSF-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.19
Rot. Bonds4

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

methyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate (PubChem CID 1131000) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
PubChem CID1131000
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Namemethyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(C)=O)sc(C(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C16H15FN2O4S/c1-8-12(16(22)23-3)15(18-9(2)20)24-13(8)14(21)19-11-7-5-4-6-10(11)17/h4-7H,1-3H3,(H,18,20)(H,19,21)
InChIKeyWILOKGVUVZIMSF-UHFFFAOYSA-N
XLogP3.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate (CID 1131000) is methyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate is COC(=O)c1c(NC(C)=O)sc(C(=O)Nc2ccccc2F)c1C.
What is the InChIKey of methyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The InChIKey is WILOKGVUVZIMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-8-12(16(22)23-3)15(18-9(2)20)24-13(8)14(21)19-11-7-5-4-6-10(11)17/h4-7H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of methyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
methyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 1131000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).