2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide

C27H24FN3O3S — CID 3210922

IUPAC2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccccc2F)N(C(=O)Cc2cccs2)c2cccnc2)cc1
InChIInChI=1S/C27H24FN3O3S/c1-34-21-12-10-19(11-13-21)17-30-27(33)26(23-8-2-3-9-24(23)28)31(20-6-4-14-29-18-20)25(32)16-22-7-5-15-35-22/h2-15,18,26H,16-17H2,1H3,(H,30,33)
InChIKeyQQDXZRYMVLWCPG-UHFFFAOYSA-N
MW489.57 g/mol
LogP4.92
Rot. Bonds9

About 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide

2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3210922) has the molecular formula C27H24FN3O3S and a molecular weight of 489.57 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3210922
Molecular FormulaC27H24FN3O3S
Molecular Weight489.57 g/mol
Exact Mass489.15
IUPAC Name2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccccc2F)N(C(=O)Cc2cccs2)c2cccnc2)cc1
InChIInChI=1S/C27H24FN3O3S/c1-34-21-12-10-19(11-13-21)17-30-27(33)26(23-8-2-3-9-24(23)28)31(20-6-4-14-29-18-20)25(32)16-22-7-5-15-35-22/h2-15,18,26H,16-17H2,1H3,(H,30,33)
InChIKeyQQDXZRYMVLWCPG-UHFFFAOYSA-N
XLogP4.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3210889
(2R)-N-benzyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434318
(2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434321
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456
(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434323
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3210903
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
(2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1450014
(2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1466171
2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3210875
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3210922) is 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is COc1ccc(CNC(=O)C(c2ccccc2F)N(C(=O)Cc2cccs2)c2cccnc2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is QQDXZRYMVLWCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3S/c1-34-21-12-10-19(11-13-21)17-30-27(33)26(23-8-2-3-9-24(23)28)31(20-6-4-14-29-18-20)25(32)16-22-7-5-15-35-22/h2-15,18,26H,16-17H2,1H3,(H,30,33).
What are the key properties of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 489.57 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3210922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).