2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide

C27H26N2O4S — CID 3210901

IUPAC2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1ccc(CNC(=O)C(c2ccccc2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C27H26N2O4S/c1-32-22-13-11-20(12-14-22)18-28-27(31)26(21-7-3-2-4-8-21)29(19-23-9-5-15-33-23)25(30)17-24-10-6-16-34-24/h2-16,26H,17-19H2,1H3,(H,28,31)
InChIKeyOXAARZIPZTXFFM-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.98
Rot. Bonds10

About 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide

2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide (PubChem CID 3210901) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
PubChem CID3210901
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1ccc(CNC(=O)C(c2ccccc2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C27H26N2O4S/c1-32-22-13-11-20(12-14-22)18-28-27(31)26(21-7-3-2-4-8-21)29(19-23-9-5-15-33-23)25(30)17-24-10-6-16-34-24/h2-16,26H,17-19H2,1H3,(H,28,31)
InChIKeyOXAARZIPZTXFFM-UHFFFAOYSA-N
XLogP4.98
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1449980
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3210871
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
(2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1450014
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3210903
2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide
CID 3210926
N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201948
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133238575
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3210889
N-[2-[[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316244
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide (CID 3210901) is 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide is COc1ccc(CNC(=O)C(c2ccccc2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1.
What is the InChIKey of 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide?
The InChIKey is OXAARZIPZTXFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-32-22-13-11-20(12-14-22)18-28-27(31)26(21-7-3-2-4-8-21)29(19-23-9-5-15-33-23)25(30)17-24-10-6-16-34-24/h2-16,26H,17-19H2,1H3,(H,28,31).
What are the key properties of 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide?
2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide has a molecular weight of 474.58 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 3210901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).