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

C28H25N3O2S — CID 129223159

IUPAC(2S)-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-/m0/s1
InChIKeyMCNPVWHPTIOGOH-MHZLTWQESA-N
MW467.59 g/mol
LogP5.95
Rot. Bonds9

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

(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 129223159) has the molecular formula C28H25N3O2S and a molecular weight of 467.59 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID129223159
Molecular FormulaC28H25N3O2S
Molecular Weight467.59 g/mol
Exact Mass467.17
IUPAC Name(2S)-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-/m0/s1
InChIKeyMCNPVWHPTIOGOH-MHZLTWQESA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide (CID 129223159) is (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for (2S)-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 (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MCNPVWHPTIOGOH-MHZLTWQESA-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-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide?
(2S)-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 (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylmethylamino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 129223159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).