N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide

C23H28FN3O3S — CID 3220001

IUPACN-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide
SMILESCC(C)N(C(=O)C(=O)NC1CCCC1)C(C(=O)NCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C23H28FN3O3S/c1-15(2)27(23(30)22(29)26-18-6-3-4-7-18)20(16-9-11-17(24)12-10-16)21(28)25-14-19-8-5-13-31-19/h5,8-13,15,18,20H,3-4,6-7,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUFGFDPNGULSAOF-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.54
Rot. Bonds7

About N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide

N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide (PubChem CID 3220001) has the molecular formula C23H28FN3O3S and a molecular weight of 445.56 g/mol. Its IUPAC name is N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide
PubChem CID3220001
Molecular FormulaC23H28FN3O3S
Molecular Weight445.56 g/mol
Exact Mass445.18
IUPAC NameN-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide
SMILESCC(C)N(C(=O)C(=O)NC1CCCC1)C(C(=O)NCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C23H28FN3O3S/c1-15(2)27(23(30)22(29)26-18-6-3-4-7-18)20(16-9-11-17(24)12-10-16)21(28)25-14-19-8-5-13-31-19/h5,8-13,15,18,20H,3-4,6-7,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUFGFDPNGULSAOF-UHFFFAOYSA-N
XLogP3.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide (CID 3220001) is N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide is CC(C)N(C(=O)C(=O)NC1CCCC1)C(C(=O)NCc1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide?
The InChIKey is UFGFDPNGULSAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3S/c1-15(2)27(23(30)22(29)26-18-6-3-4-7-18)20(16-9-11-17(24)12-10-16)21(28)25-14-19-8-5-13-31-19/h5,8-13,15,18,20H,3-4,6-7,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide?
N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide has a molecular weight of 445.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 3220001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).