(2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide

C24H20FN3O3S — CID 1466171

IUPAC(2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NCc1ccco1)[C@@H](c1ccc(F)cc1)N(C(=O)Cc1cccs1)c1cccnc1
InChIInChI=1S/C24H20FN3O3S/c25-18-9-7-17(8-10-18)23(24(30)27-16-20-5-2-12-31-20)28(19-4-1-11-26-15-19)22(29)14-21-6-3-13-32-21/h1-13,15,23H,14,16H2,(H,27,30)/t23-/m1/s1
InChIKeyBTCAJPZYVYWQEN-HSZRJFAPSA-N
MW449.51 g/mol
LogP4.51
Rot. Bonds8

About (2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide

(2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 1466171) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID1466171
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC Name(2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NCc1ccco1)[C@@H](c1ccc(F)cc1)N(C(=O)Cc1cccs1)c1cccnc1
InChIInChI=1S/C24H20FN3O3S/c25-18-9-7-17(8-10-18)23(24(30)27-16-20-5-2-12-31-20)28(19-4-1-11-26-15-19)22(29)14-21-6-3-13-32-21/h1-13,15,23H,14,16H2,(H,27,30)/t23-/m1/s1
InChIKeyBTCAJPZYVYWQEN-HSZRJFAPSA-N
XLogP4.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3216723
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3210922
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
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 40783332
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 3206316
N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 25316657
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201948
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 1466171) is (2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is O=C(NCc1ccco1)[C@@H](c1ccc(F)cc1)N(C(=O)Cc1cccs1)c1cccnc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is BTCAJPZYVYWQEN-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c25-18-9-7-17(8-10-18)23(24(30)27-16-20-5-2-12-31-20)28(19-4-1-11-26-15-19)22(29)14-21-6-3-13-32-21/h1-13,15,23H,14,16H2,(H,27,30)/t23-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
(2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 449.51 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 1466171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).