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

C25H24N2O4S2 — CID 656062

IUPAC2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccco2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C25H24N2O4S2/c1-30-19-10-8-18(9-11-19)16-26-25(29)24(22-7-2-12-31-22)27(17-21-6-4-14-33-21)23(28)15-20-5-3-13-32-20/h2-14,24H,15-17H2,1H3,(H,26,29)
InChIKeyITDNHKFDOGWVLN-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.04
Rot. Bonds10

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

2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 656062) has the molecular formula C25H24N2O4S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID656062
Molecular FormulaC25H24N2O4S2
Molecular Weight480.61 g/mol
Exact Mass480.12
IUPAC Name2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccco2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C25H24N2O4S2/c1-30-19-10-8-18(9-11-19)16-26-25(29)24(22-7-2-12-31-22)27(17-21-6-4-14-33-21)23(28)15-20-5-3-13-32-20/h2-14,24H,15-17H2,1H3,(H,26,29)
InChIKeyITDNHKFDOGWVLN-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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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide (CID 656062) is 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide is COc1ccc(CNC(=O)C(c2ccco2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is ITDNHKFDOGWVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S2/c1-30-19-10-8-18(9-11-19)16-26-25(29)24(22-7-2-12-31-22)27(17-21-6-4-14-33-21)23(28)15-20-5-3-13-32-20/h2-14,24H,15-17H2,1H3,(H,26,29).
What are the key properties of 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide 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-yl)-N-[(4-methoxyphenyl)methyl]-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 656062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).