ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate

C24H29N3O6S — CID 71685417

IUPACethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc3c(ccn3CC(C)C)c2)o1
InChIInChI=1S/C24H29N3O6S/c1-4-32-24(29)21-9-10-22(33-21)34(30,31)27-12-5-6-20(27)23(28)25-18-7-8-19-17(14-18)11-13-26(19)15-16(2)3/h7-11,13-14,16,20H,4-6,12,15H2,1-3H3,(H,25,28)
InChIKeyDZQFTMIFURZWHE-UHFFFAOYSA-N
MW487.58 g/mol
LogP3.86
Rot. Bonds8

About ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate

ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate (PubChem CID 71685417) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
PubChem CID71685417
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Nameethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc3c(ccn3CC(C)C)c2)o1
InChIInChI=1S/C24H29N3O6S/c1-4-32-24(29)21-9-10-22(33-21)34(30,31)27-12-5-6-20(27)23(28)25-18-7-8-19-17(14-18)11-13-26(19)15-16(2)3/h7-11,13-14,16,20H,4-6,12,15H2,1-3H3,(H,25,28)
InChIKeyDZQFTMIFURZWHE-UHFFFAOYSA-N
XLogP3.86
TPSA110.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
The IUPAC name of ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate (CID 71685417) is ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
The canonical SMILES for ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc3c(ccn3CC(C)C)c2)o1.
What is the InChIKey of ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
The InChIKey is DZQFTMIFURZWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-4-32-24(29)21-9-10-22(33-21)34(30,31)27-12-5-6-20(27)23(28)25-18-7-8-19-17(14-18)11-13-26(19)15-16(2)3/h7-11,13-14,16,20H,4-6,12,15H2,1-3H3,(H,25,28).
What are the key properties of ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate has a molecular weight of 487.58 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[[1-(2-methylpropyl)indol-5-yl]carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate is sourced from PubChem (CID 71685417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).