N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide

C21H27N3O6S — CID 27505970

IUPACN'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCN2CCOCC2)c2ccco2)cc1
InChIInChI=1S/C21H27N3O6S/c1-16-4-6-17(7-5-16)31(27,28)19(18-3-2-12-30-18)15-23-21(26)20(25)22-8-9-24-10-13-29-14-11-24/h2-7,12,19H,8-11,13-15H2,1H3,(H,22,25)(H,23,26)/t19-/m1/s1
InChIKeyQGURQVUFIJTEJL-LJQANCHMSA-N
MW449.53 g/mol
LogP0.67
Rot. Bonds8

About N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide

N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 27505970) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID27505970
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC NameN'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCN2CCOCC2)c2ccco2)cc1
InChIInChI=1S/C21H27N3O6S/c1-16-4-6-17(7-5-16)31(27,28)19(18-3-2-12-30-18)15-23-21(26)20(25)22-8-9-24-10-13-29-14-11-24/h2-7,12,19H,8-11,13-15H2,1H3,(H,22,25)(H,23,26)/t19-/m1/s1
InChIKeyQGURQVUFIJTEJL-LJQANCHMSA-N
XLogP0.67
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 92693498
(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 92698413
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 40774894
N-[(2-chlorophenyl)methyl]-N'-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 22584517
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7267948
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 22584425
phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
CID 7268077
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 7268216
N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide
CID 9161190
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
N-[2-(4-fluorophenyl)ethyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555072

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 27505970) is N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide is Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCN2CCOCC2)c2ccco2)cc1.
What is the InChIKey of N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is QGURQVUFIJTEJL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-16-4-6-17(7-5-16)31(27,28)19(18-3-2-12-30-18)15-23-21(26)20(25)22-8-9-24-10-13-29-14-11-24/h2-7,12,19H,8-11,13-15H2,1H3,(H,22,25)(H,23,26)/t19-/m1/s1.
What are the key properties of N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 449.53 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 27505970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).