[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C22H28N2O6S — CID 16531511

IUPAC[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)c(C)o1
InChIInChI=1S/C22H28N2O6S/c1-15-13-18(16(2)30-15)22(26)29-14-21(25)23-19-11-7-8-12-20(19)31(27,28)24(3)17-9-5-4-6-10-17/h7-8,11-13,17H,4-6,9-10,14H2,1-3H3,(H,23,25)
InChIKeyIJLMMRKOMOMDGD-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.65
Rot. Bonds7

About [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 16531511) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID16531511
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)c(C)o1
InChIInChI=1S/C22H28N2O6S/c1-15-13-18(16(2)30-15)22(26)29-14-21(25)23-19-11-7-8-12-20(19)31(27,28)24(3)17-9-5-4-6-10-17/h7-8,11-13,17H,4-6,9-10,14H2,1-3H3,(H,23,25)
InChIKeyIJLMMRKOMOMDGD-UHFFFAOYSA-N
XLogP3.65
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519558
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 55536343
[2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7844551
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 55405367
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425533
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate
CID 55995504
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,5-dimethylfuran-3-carboxylate
CID 4148887
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 112829072
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 30108251
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-phenylphenoxy)acetamide
CID 4838958
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7419173
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
CID 30381217

Frequently Asked Questions

What is the IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 16531511) is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)c(C)o1.
What is the InChIKey of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is IJLMMRKOMOMDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-15-13-18(16(2)30-15)22(26)29-14-21(25)23-19-11-7-8-12-20(19)31(27,28)24(3)17-9-5-4-6-10-17/h7-8,11-13,17H,4-6,9-10,14H2,1-3H3,(H,23,25).
What are the key properties of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 448.54 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 16531511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).