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

C25H23N3O4S — CID 3210865

IUPAC2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccco2)N(C(=O)Cc2cccs2)c2cccnc2)cc1
InChIInChI=1S/C25H23N3O4S/c1-31-20-10-8-18(9-11-20)16-27-25(30)24(22-7-3-13-32-22)28(19-5-2-12-26-17-19)23(29)15-21-6-4-14-33-21/h2-14,17,24H,15-16H2,1H3,(H,27,30)
InChIKeyKRCQHNGEEMPBLJ-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.38
Rot. Bonds9

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

2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3210865) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3210865
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccco2)N(C(=O)Cc2cccs2)c2cccnc2)cc1
InChIInChI=1S/C25H23N3O4S/c1-31-20-10-8-18(9-11-20)16-27-25(30)24(22-7-3-13-32-22)28(19-5-2-12-26-17-19)23(29)15-21-6-4-14-33-21/h2-14,17,24H,15-16H2,1H3,(H,27,30)
InChIKeyKRCQHNGEEMPBLJ-UHFFFAOYSA-N
XLogP4.38
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.38
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-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3210865) is 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is COc1ccc(CNC(=O)C(c2ccco2)N(C(=O)Cc2cccs2)c2cccnc2)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is KRCQHNGEEMPBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-31-20-10-8-18(9-11-20)16-27-25(30)24(22-7-3-13-32-22)28(19-5-2-12-26-17-19)23(29)15-21-6-4-14-33-21/h2-14,17,24H,15-16H2,1H3,(H,27,30).
What are the key properties of 2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 461.54 g/mol, XLogP of 4.38, 9 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-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3210865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).