N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide

C25H27FN2O3S — CID 5056995

IUPACN-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
SMILESCOCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)Cc1ccccc1
InChIInChI=1S/C25H27FN2O3S/c1-31-14-13-27(24(29)16-20-6-3-2-4-7-20)19-25(30)28(18-23-8-5-15-32-23)17-21-9-11-22(26)12-10-21/h2-12,15H,13-14,16-19H2,1H3
InChIKeyLATTYQKPSAXQNI-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.13
Rot. Bonds11

About N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide

N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide (PubChem CID 5056995) has the molecular formula C25H27FN2O3S and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
PubChem CID5056995
Molecular FormulaC25H27FN2O3S
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC NameN-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
SMILESCOCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)Cc1ccccc1
InChIInChI=1S/C25H27FN2O3S/c1-31-14-13-27(24(29)16-20-6-3-2-4-7-20)19-25(30)28(18-23-8-5-15-32-23)17-21-9-11-22(26)12-10-21/h2-12,15H,13-14,16-19H2,1H3
InChIKeyLATTYQKPSAXQNI-UHFFFAOYSA-N
XLogP4.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 4564565
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 4517686
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 3649570
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3459642
2-[acetyl(3-methoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 42665019
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 4109622
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)octanamide
CID 4288111
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-2-phenylacetamide
CID 5193233
2-[(2,4-difluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4526852
2-[(3-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4172186
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylbutanamide
CID 4245895

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide (CID 5056995) is N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide is COCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide?
The InChIKey is LATTYQKPSAXQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3S/c1-31-14-13-27(24(29)16-20-6-3-2-4-7-20)19-25(30)28(18-23-8-5-15-32-23)17-21-9-11-22(26)12-10-21/h2-12,15H,13-14,16-19H2,1H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide?
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide has a molecular weight of 454.57 g/mol, XLogP of 4.13, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide is sourced from PubChem (CID 5056995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).