ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate

C24H23FN2O5S — CID 1245637

IUPACethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc(C(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C24H23FN2O5S/c1-4-31-24(30)20-15(3)21(22(29)26-18-8-6-5-7-14(18)2)33-23(20)27-19(28)13-32-17-11-9-16(25)10-12-17/h5-12H,4,13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeySMNZXFOEFRKACV-UHFFFAOYSA-N
MW470.52 g/mol
LogP4.95
Rot. Bonds8

About ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate

ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate (PubChem CID 1245637) has the molecular formula C24H23FN2O5S and a molecular weight of 470.52 g/mol. Its IUPAC name is ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
PubChem CID1245637
Molecular FormulaC24H23FN2O5S
Molecular Weight470.52 g/mol
Exact Mass470.13
IUPAC Nameethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc(C(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C24H23FN2O5S/c1-4-31-24(30)20-15(3)21(22(29)26-18-8-6-5-7-14(18)2)33-23(20)27-19(28)13-32-17-11-9-16(25)10-12-17/h5-12H,4,13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeySMNZXFOEFRKACV-UHFFFAOYSA-N
XLogP4.95
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate (CID 1245637) is ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc(C(=O)Nc2ccccc2C)c1C.
What is the InChIKey of ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The InChIKey is SMNZXFOEFRKACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S/c1-4-31-24(30)20-15(3)21(22(29)26-18-8-6-5-7-14(18)2)33-23(20)27-19(28)13-32-17-11-9-16(25)10-12-17/h5-12H,4,13H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate has a molecular weight of 470.52 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is sourced from PubChem (CID 1245637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).