[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

C21H25NO6S — CID 36753350

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)OCC(=O)NCc3ccco3)CCCC2)c1
InChIInChI=1S/C21H25NO6S/c1-15-7-8-16(2)18(12-15)29(25,26)21(9-3-4-10-21)20(24)28-14-19(23)22-13-17-6-5-11-27-17/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,22,23)
InChIKeyOZPRZSHMDYIKMS-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.84
Rot. Bonds7

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate (PubChem CID 36753350) has the molecular formula C21H25NO6S and a molecular weight of 419.50 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
PubChem CID36753350
Molecular FormulaC21H25NO6S
Molecular Weight419.50 g/mol
Exact Mass419.14
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)OCC(=O)NCc3ccco3)CCCC2)c1
InChIInChI=1S/C21H25NO6S/c1-15-7-8-16(2)18(12-15)29(25,26)21(9-3-4-10-21)20(24)28-14-19(23)22-13-17-6-5-11-27-17/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,22,23)
InChIKeyOZPRZSHMDYIKMS-UHFFFAOYSA-N
XLogP2.84
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate with MolForge

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 46586522
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
CID 55473752
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 2630934
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2098575
N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119382972
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 1260914
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 27650062
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 3262204
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
CID 46670644
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 40624817
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 55961278
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 24504865

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate (CID 36753350) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCC(=O)NCc3ccco3)CCCC2)c1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate?
The InChIKey is OZPRZSHMDYIKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6S/c1-15-7-8-16(2)18(12-15)29(25,26)21(9-3-4-10-21)20(24)28-14-19(23)22-13-17-6-5-11-27-17/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,22,23).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate has a molecular weight of 419.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 36753350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).