ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate

C18H26N2O6S — CID 55653262

IUPACethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)NCC2CCCC2)o1
InChIInChI=1S/C18H26N2O6S/c1-2-25-18(22)15-9-10-16(26-15)27(23,24)20-11-5-8-14(20)17(21)19-12-13-6-3-4-7-13/h9-10,13-14H,2-8,11-12H2,1H3,(H,19,21)
InChIKeyNTAWYZZOYMZAPH-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.92
Rot. Bonds7

About ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate

ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate (PubChem CID 55653262) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
PubChem CID55653262
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Nameethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)NCC2CCCC2)o1
InChIInChI=1S/C18H26N2O6S/c1-2-25-18(22)15-9-10-16(26-15)27(23,24)20-11-5-8-14(20)17(21)19-12-13-6-3-4-7-13/h9-10,13-14H,2-8,11-12H2,1H3,(H,19,21)
InChIKeyNTAWYZZOYMZAPH-UHFFFAOYSA-N
XLogP1.92
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
CID 55650936
ethyl 5-[2-(4-cyanopiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
CID 49062122
5-[2-(cyclohex-3-en-1-ylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119182153
ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
CID 71685417
ethyl 5-[[[1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylate
CID 4242301
ethyl 5-[3-(1-aminoethyl)piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 119984436
ethyl 5-[4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55650324
ethyl 5-[4-[(4-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55650662
5-[2-(2-but-3-enoxyethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120695944
methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate
CID 95760855
ethyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylfuran-2-carboxylate;hydrochloride
CID 120779372
ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 120765458

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
The IUPAC name of ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate (CID 55653262) is ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
The canonical SMILES for ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)NCC2CCCC2)o1.
What is the InChIKey of ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
The InChIKey is NTAWYZZOYMZAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-2-25-18(22)15-9-10-16(26-15)27(23,24)20-11-5-8-14(20)17(21)19-12-13-6-3-4-7-13/h9-10,13-14H,2-8,11-12H2,1H3,(H,19,21).
What are the key properties of ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate has a molecular weight of 398.48 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate is sourced from PubChem (CID 55653262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).