[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

C23H23ClN2O6S — CID 39803402

IUPAC[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1C
InChIInChI=1S/C23H23ClN2O6S/c1-15-3-9-20(11-16(15)2)33(29,30)26-13-23(28)31-14-22(27)25-12-19-8-10-21(32-19)17-4-6-18(24)7-5-17/h3-11,26H,12-14H2,1-2H3,(H,25,27)
InChIKeyQKNDCYUHRFRAED-UHFFFAOYSA-N
MW490.97 g/mol
LogP3.35
Rot. Bonds9

About [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (PubChem CID 39803402) has the molecular formula C23H23ClN2O6S and a molecular weight of 490.97 g/mol. Its IUPAC name is [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
PubChem CID39803402
Molecular FormulaC23H23ClN2O6S
Molecular Weight490.97 g/mol
Exact Mass490.10
IUPAC Name[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1C
InChIInChI=1S/C23H23ClN2O6S/c1-15-3-9-20(11-16(15)2)33(29,30)26-13-23(28)31-14-22(27)25-12-19-8-10-21(32-19)17-4-6-18(24)7-5-17/h3-11,26H,12-14H2,1-2H3,(H,25,27)
InChIKeyQKNDCYUHRFRAED-UHFFFAOYSA-N
XLogP3.35
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570245
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570270
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570267
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234598
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234482
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570278
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570249
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596364
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596226
(3,3-dimethyl-2-oxobutyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234571
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570026
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 42969951

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (CID 39803402) is [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1C.
What is the InChIKey of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is QKNDCYUHRFRAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O6S/c1-15-3-9-20(11-16(15)2)33(29,30)26-13-23(28)31-14-22(27)25-12-19-8-10-21(32-19)17-4-6-18(24)7-5-17/h3-11,26H,12-14H2,1-2H3,(H,25,27).
What are the key properties of [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 490.97 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 39803402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).