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

C27H23N3O4S2 — CID 118636336

IUPAC(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C([C@H](NS(=O)(=O)c1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C27H23N3O4S2/c31-27(30(18-22-10-5-15-34-22)19-23-11-6-16-35-23)26(20-7-2-1-3-8-20)29-36(32,33)24-12-13-25-21(17-24)9-4-14-28-25/h1-17,26,29H,18-19H2/t26-/m1/s1
InChIKeyVMFLWTPNXBEDMT-AREMUKBSSA-N
MW517.63 g/mol
LogP5.14
Rot. Bonds9

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

(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 118636336) has the molecular formula C27H23N3O4S2 and a molecular weight of 517.63 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID118636336
Molecular FormulaC27H23N3O4S2
Molecular Weight517.63 g/mol
Exact Mass517.11
IUPAC Name(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C([C@H](NS(=O)(=O)c1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C27H23N3O4S2/c31-27(30(18-22-10-5-15-34-22)19-23-11-6-16-35-23)26(20-7-2-1-3-8-20)29-36(32,33)24-12-13-25-21(17-24)9-4-14-28-25/h1-17,26,29H,18-19H2/t26-/m1/s1
InChIKeyVMFLWTPNXBEDMT-AREMUKBSSA-N
XLogP5.14
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
N-(2-furylmethyl)-2-(8-quinolylthio)acetamide
CID 2306374
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]quinoline-2-carboxamide
CID 2576894
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731
N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4145602
N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5307160
N-(furan-2-ylmethyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 5308004
N-(furan-2-ylmethyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5309600
N-(furan-2-ylmethyl)-8-[[4-(furan-2-ylmethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-4-carboxamide
CID 90112401
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
CID 3216722
N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3216724
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216728

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide (CID 118636336) is (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide is O=C([C@H](NS(=O)(=O)c1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VMFLWTPNXBEDMT-AREMUKBSSA-N. The full InChI is InChI=1S/C27H23N3O4S2/c31-27(30(18-22-10-5-15-34-22)19-23-11-6-16-35-23)26(20-7-2-1-3-8-20)29-36(32,33)24-12-13-25-21(17-24)9-4-14-28-25/h1-17,26,29H,18-19H2/t26-/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide?
(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 517.63 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 118636336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).