(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide

C28H25N3O2S — CID 129223122

IUPAC(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C([C@H](NCc1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C28H25N3O2S/c32-28(31(19-24-10-5-15-33-24)20-25-11-6-16-34-25)27(22-7-2-1-3-8-22)30-18-21-12-13-26-23(17-21)9-4-14-29-26/h1-17,27,30H,18-20H2/t27-/m1/s1
InChIKeyMCNPVWHPTIOGOH-HHHXNRCGSA-N
MW467.59 g/mol
LogP5.95
Rot. Bonds9

About (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide

(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 129223122) has the molecular formula C28H25N3O2S and a molecular weight of 467.59 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID129223122
Molecular FormulaC28H25N3O2S
Molecular Weight467.59 g/mol
Exact Mass467.17
IUPAC Name(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C([C@H](NCc1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C28H25N3O2S/c32-28(31(19-24-10-5-15-33-24)20-25-11-6-16-34-25)27(22-7-2-1-3-8-22)30-18-21-12-13-26-23(17-21)9-4-14-29-26/h1-17,27,30H,18-20H2/t27-/m1/s1
InChIKeyMCNPVWHPTIOGOH-HHHXNRCGSA-N
XLogP5.95
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-furylmethyl)-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 6622738
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
N-(2-furylmethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 757630
3-amino-N-(furan-2-ylmethyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 865562
N-(2-furylmethyl)-2-(8-quinolylthio)acetamide
CID 2306374
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3210865
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211119
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide (CID 129223122) is (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide is O=C([C@H](NCc1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MCNPVWHPTIOGOH-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H25N3O2S/c32-28(31(19-24-10-5-15-33-24)20-25-11-6-16-34-25)27(22-7-2-1-3-8-22)30-18-21-12-13-26-23(17-21)9-4-14-29-26/h1-17,27,30H,18-20H2/t27-/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 467.59 g/mol, XLogP of 5.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 129223122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).