[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

C23H21FN2O4S — CID 30968052

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H21FN2O4S/c24-17-3-1-16(2-4-17)20-9-10-21(31-20)23(28)30-15-22(27)25-18-5-7-19(8-6-18)26-11-13-29-14-12-26/h1-10H,11-15H2,(H,25,27)
InChIKeyZOLLJFIXBYFBQV-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.19
Rot. Bonds6

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate (PubChem CID 30968052) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
PubChem CID30968052
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H21FN2O4S/c24-17-3-1-16(2-4-17)20-9-10-21(31-20)23(28)30-15-22(27)25-18-5-7-19(8-6-18)26-11-13-29-14-12-26/h1-10H,11-15H2,(H,25,27)
InChIKeyZOLLJFIXBYFBQV-UHFFFAOYSA-N
XLogP4.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7158819
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 3921616
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2417027
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781225
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2478164
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631686
[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192441
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341
cis-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7952589
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969375
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 18099034

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate (CID 30968052) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate is O=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is ZOLLJFIXBYFBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c24-17-3-1-16(2-4-17)20-9-10-21(31-20)23(28)30-15-22(27)25-18-5-7-19(8-6-18)26-11-13-29-14-12-26/h1-10H,11-15H2,(H,25,27).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 30968052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).