2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C27H26N2O4S — CID 3210867

IUPAC2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccco2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C27H26N2O4S/c1-32-22-13-11-20(12-14-22)18-28-27(31)26(24-10-5-15-33-24)29(19-21-7-3-2-4-8-21)25(30)17-23-9-6-16-34-23/h2-16,26H,17-19H2,1H3,(H,28,31)
InChIKeyONSKQWQBFHASOV-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.98
Rot. Bonds10

About 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 3210867) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID3210867
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccco2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C27H26N2O4S/c1-32-22-13-11-20(12-14-22)18-28-27(31)26(24-10-5-15-33-24)29(19-21-7-3-2-4-8-21)25(30)17-23-9-6-16-34-23/h2-16,26H,17-19H2,1H3,(H,28,31)
InChIKeyONSKQWQBFHASOV-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

Analyze 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]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

N-((S)-1-((S)-1-(4-(3-(dimethylamino)propoxy)benzyl)pyrrolidin-3-ylamino)-4-methyl-1-oxopentan-2-yl)benzo[b]thiophene-2-carboxamide
CID 10120078
Aderamastat
CID 67177374
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
4-(Benzyloxy)-N-[(2s,3r)-3-Hydroxy-1-{[(2s)-1-{[(3-Methylthiophen-2-Yl)methyl]amino}-1-Oxo-4-Phenylbutan-2-Yl]amino}-1-Oxobutan-2-Yl]benzamide
CID 52943040
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 16293454
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 648156
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-furan-2-yl-methyl)-(4-methoxy-benzyl)-carbamoyl]-methyl}-amide
CID 654587
2-Furan-2-yl-N-(4-methoxy-benzyl)-2-[(2-thiophen-2-yl-acetyl)-thiophen-2-ylmethyl-amino]-acetamide
CID 656062
Cambridge id 6682106
CID 1154721
N-(3-((Furan-2-ylmethyl)amino)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)-4-methylbenzamide
CID 2179984

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 3210867) is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)C(c2ccco2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1.
What is the InChIKey of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is ONSKQWQBFHASOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-32-22-13-11-20(12-14-22)18-28-27(31)26(24-10-5-15-33-24)29(19-21-7-3-2-4-8-21)25(30)17-23-9-6-16-34-23/h2-16,26H,17-19H2,1H3,(H,28,31).
What are the key properties of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide 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-[benzyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3210867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).