N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide

C23H23FN4O4S — CID 3205355

IUPACN'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C23H23FN4O4S/c1-32-19-5-3-2-4-18(19)28(15-21(30)26-14-16-6-8-17(24)9-7-16)22(31)11-10-20(29)27-23-25-12-13-33-23/h2-9,12-13H,10-11,14-15H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyYTWLPPGHLGPUMP-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.36
Rot. Bonds10

About N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide

N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 3205355) has the molecular formula C23H23FN4O4S and a molecular weight of 470.53 g/mol. Its IUPAC name is N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID3205355
Molecular FormulaC23H23FN4O4S
Molecular Weight470.53 g/mol
Exact Mass470.14
IUPAC NameN'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C23H23FN4O4S/c1-32-19-5-3-2-4-18(19)28(15-21(30)26-14-16-6-8-17(24)9-7-16)22(31)11-10-20(29)27-23-25-12-13-33-23/h2-9,12-13H,10-11,14-15H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyYTWLPPGHLGPUMP-UHFFFAOYSA-N
XLogP3.36
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide 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 N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide (CID 3205355) is N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide is COc1ccccc1N(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1nccs1.
What is the InChIKey of N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is YTWLPPGHLGPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4S/c1-32-19-5-3-2-4-18(19)28(15-21(30)26-14-16-6-8-17(24)9-7-16)22(31)11-10-20(29)27-23-25-12-13-33-23/h2-9,12-13H,10-11,14-15H2,1H3,(H,26,30)(H,25,27,29).
What are the key properties of N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 470.53 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3205355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).