ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate

C18H24N2O5S — CID 120875134

IUPACethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(S(=O)(=O)NC3(CN)CCCC3)cc2c1C
InChIInChI=1S/C18H24N2O5S/c1-3-24-17(21)16-12(2)14-10-13(6-7-15(14)25-16)26(22,23)20-18(11-19)8-4-5-9-18/h6-7,10,20H,3-5,8-9,11,19H2,1-2H3
InChIKeyGAFMILBEABHGCR-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.47
Rot. Bonds6

About ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate

ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 120875134) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
PubChem CID120875134
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Nameethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(S(=O)(=O)NC3(CN)CCCC3)cc2c1C
InChIInChI=1S/C18H24N2O5S/c1-3-24-17(21)16-12(2)14-10-13(6-7-15(14)25-16)26(22,23)20-18(11-19)8-4-5-9-18/h6-7,10,20H,3-5,8-9,11,19H2,1-2H3
InChIKeyGAFMILBEABHGCR-UHFFFAOYSA-N
XLogP2.47
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate (CID 120875134) is ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccc(S(=O)(=O)NC3(CN)CCCC3)cc2c1C.
What is the InChIKey of ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is GAFMILBEABHGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-3-24-17(21)16-12(2)14-10-13(6-7-15(14)25-16)26(22,23)20-18(11-19)8-4-5-9-18/h6-7,10,20H,3-5,8-9,11,19H2,1-2H3.
What are the key properties of ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate?
ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 380.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 120875134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).