ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate

C21H19FN2O4S — CID 2103181

IUPACethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H19FN2O4S/c1-3-28-20(25)19-16(12-18(29-19)13-8-10-14(22)11-9-13)24-21(26)23-15-6-4-5-7-17(15)27-2/h4-12H,3H2,1-2H3,(H2,23,24,26)
InChIKeyUZBLKLZSJHOPQS-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.38
Rot. Bonds6

About ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate

ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 2103181) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID2103181
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Nameethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H19FN2O4S/c1-3-28-20(25)19-16(12-18(29-19)13-8-10-14(22)11-9-13)24-21(26)23-15-6-4-5-7-17(15)27-2/h4-12H,3H2,1-2H3,(H2,23,24,26)
InChIKeyUZBLKLZSJHOPQS-UHFFFAOYSA-N
XLogP5.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate (CID 2103181) is ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)Nc1ccccc1OC.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is UZBLKLZSJHOPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-3-28-20(25)19-16(12-18(29-19)13-8-10-14(22)11-9-13)24-21(26)23-15-6-4-5-7-17(15)27-2/h4-12H,3H2,1-2H3,(H2,23,24,26).
What are the key properties of ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 2103181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).