2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide

C21H20FN3O3S — CID 58115516

IUPAC2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccc(OCc2cccc(F)c2)cc1)c1nccs1
InChIInChI=1S/C21H20FN3O3S/c1-14(26)25-19(21-23-9-10-29-21)20(27)24-12-15-5-7-18(8-6-15)28-13-16-3-2-4-17(22)11-16/h2-11,19H,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyDKPLSNNHVMDHBJ-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.35
Rot. Bonds8

About 2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide

2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide (PubChem CID 58115516) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide
PubChem CID58115516
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccc(OCc2cccc(F)c2)cc1)c1nccs1
InChIInChI=1S/C21H20FN3O3S/c1-14(26)25-19(21-23-9-10-29-21)20(27)24-12-15-5-7-18(8-6-15)28-13-16-3-2-4-17(22)11-16/h2-11,19H,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyDKPLSNNHVMDHBJ-UHFFFAOYSA-N
XLogP3.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
CID 14978593
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
CID 153327338
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide;hydrochloride
CID 119283180
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide
CID 123999268
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide
CID 38526114
N-[1-amino-5-[4-[(3-fluorophenyl)methoxy]phenyl]-3-oxo-1-sulfanylidenepentan-2-yl]acetamide
CID 58115485
(2R)-2-acetamido-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)acetamide
CID 25031587
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
CID 119283185

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide (CID 58115516) is 2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide is CC(=O)NC(C(=O)NCc1ccc(OCc2cccc(F)c2)cc1)c1nccs1.
What is the InChIKey of 2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DKPLSNNHVMDHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-14(26)25-19(21-23-9-10-29-21)20(27)24-12-15-5-7-18(8-6-15)28-13-16-3-2-4-17(22)11-16/h2-11,19H,12-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide?
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide has a molecular weight of 413.47 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 58115516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).