N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

C25H23N3O3S — CID 3216724

IUPACN-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NCc2ccco2)c2ccncc2)c1
InChIInChI=1S/C25H23N3O3S/c1-18-5-2-6-20(15-18)28(23(29)16-22-8-4-14-32-22)24(19-9-11-26-12-10-19)25(30)27-17-21-7-3-13-31-21/h2-15,24H,16-17H2,1H3,(H,27,30)
InChIKeyPLUQJNUUEFLTPX-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.68
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (PubChem CID 3216724) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
PubChem CID3216724
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NCc2ccco2)c2ccncc2)c1
InChIInChI=1S/C25H23N3O3S/c1-18-5-2-6-20(15-18)28(23(29)16-22-8-4-14-32-22)24(19-9-11-26-12-10-19)25(30)27-17-21-7-3-13-31-21/h2-15,24H,16-17H2,1H3,(H,27,30)
InChIKeyPLUQJNUUEFLTPX-UHFFFAOYSA-N
XLogP4.68
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (CID 3216724) is N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is Cc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NCc2ccco2)c2ccncc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The InChIKey is PLUQJNUUEFLTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-18-5-2-6-20(15-18)28(23(29)16-22-8-4-14-32-22)24(19-9-11-26-12-10-19)25(30)27-17-21-7-3-13-31-21/h2-15,24H,16-17H2,1H3,(H,27,30).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide has a molecular weight of 445.54 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3216724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).