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

C25H23N3O3S — CID 3216723

IUPACN-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NCc2ccco2)c2ccncc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-18-6-8-20(9-7-18)28(23(29)16-22-5-3-15-32-22)24(19-10-12-26-13-11-19)25(30)27-17-21-4-2-14-31-21/h2-15,24H,16-17H2,1H3,(H,27,30)
InChIKeyLKGFFNQUZDVXNY-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.68
Rot. Bonds8

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

N-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (PubChem CID 3216723) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
PubChem CID3216723
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NCc2ccco2)c2ccncc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-18-6-8-20(9-7-18)28(23(29)16-22-5-3-15-32-22)24(19-10-12-26-13-11-19)25(30)27-17-21-4-2-14-31-21/h2-15,24H,16-17H2,1H3,(H,27,30)
InChIKeyLKGFFNQUZDVXNY-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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Related Compounds

(2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1466171
N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 25316657
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
N-[2-[[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 25316603
N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 3215380
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide
CID 1436017
N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202593
N-[2-(3-fluoro-N-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 25316637
N-[2-(4-fluoro-N-[2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3215302
N-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1433059
N-cyclopentyl-2-pyridin-4-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202608

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (CID 3216723) is N-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is Cc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NCc2ccco2)c2ccncc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The InChIKey is LKGFFNQUZDVXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-18-6-8-20(9-7-18)28(23(29)16-22-5-3-15-32-22)24(19-10-12-26-13-11-19)25(30)27-17-21-4-2-14-31-21/h2-15,24H,16-17H2,1H3,(H,27,30).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
N-(furan-2-ylmethyl)-2-(4-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-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3216723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).