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

C25H24N2O4S2 — CID 3210888

IUPAC2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CNC(=O)C(c2cccs2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C25H24N2O4S2/c1-30-19-10-8-18(9-11-19)16-26-25(29)24(22-7-4-14-33-22)27(17-20-5-2-12-31-20)23(28)15-21-6-3-13-32-21/h2-14,24H,15-17H2,1H3,(H,26,29)
InChIKeyFLQWKEPDMWSDAF-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.04
Rot. Bonds10

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

2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 3210888) has the molecular formula C25H24N2O4S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID3210888
Molecular FormulaC25H24N2O4S2
Molecular Weight480.61 g/mol
Exact Mass480.12
IUPAC Name2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CNC(=O)C(c2cccs2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C25H24N2O4S2/c1-30-19-10-8-18(9-11-19)16-26-25(29)24(22-7-4-14-33-22)27(17-20-5-2-12-31-20)23(28)15-21-6-3-13-32-21/h2-14,24H,15-17H2,1H3,(H,26,29)
InChIKeyFLQWKEPDMWSDAF-UHFFFAOYSA-N
XLogP5.04
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2177140
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
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CID 16293454
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CID 2507180
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 648156
N-Furan-2-ylmethyl-2-[phenyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-2-yl-acetamide
CID 649429
2-Benzenesulfonylamino-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-thiophen-2-ylmethyl-acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide (CID 3210888) is 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide is COc1ccc(CNC(=O)C(c2cccs2)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-thiophen-2-ylacetamide?
The InChIKey is FLQWKEPDMWSDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S2/c1-30-19-10-8-18(9-11-19)16-26-25(29)24(22-7-4-14-33-22)27(17-20-5-2-12-31-20)23(28)15-21-6-3-13-32-21/h2-14,24H,15-17H2,1H3,(H,26,29).
What are the key properties of 2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 480.61 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 6 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-thiophen-2-ylacetamide is sourced from PubChem (CID 3210888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).