N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide

C20H23FN2O3S — CID 18112885

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C20H23FN2O3S/c21-16-5-3-15(4-6-16)17(23-9-11-26-12-10-23)14-22-20(25)8-7-18(24)19-2-1-13-27-19/h1-6,13,17H,7-12,14H2,(H,22,25)
InChIKeyVIHUKSIHYYUJLT-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.04
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 18112885) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID18112885
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C20H23FN2O3S/c21-16-5-3-15(4-6-16)17(23-9-11-26-12-10-23)14-22-20(25)8-7-18(24)19-2-1-13-27-19/h1-6,13,17H,7-12,14H2,(H,22,25)
InChIKeyVIHUKSIHYYUJLT-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 18112885) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is VIHUKSIHYYUJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c21-16-5-3-15(4-6-16)17(23-9-11-26-12-10-23)14-22-20(25)8-7-18(24)19-2-1-13-27-19/h1-6,13,17H,7-12,14H2,(H,22,25).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 390.48 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 18112885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).