ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate

C19H25N3O6S — CID 155234000

IUPACethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(S(=O)(=O)NC(=O)c2cc3ccc(N(C)C)cc3o2)CC1
InChIInChI=1S/C19H25N3O6S/c1-4-27-19(24)22-9-7-15(8-10-22)29(25,26)20-18(23)17-11-13-5-6-14(21(2)3)12-16(13)28-17/h5-6,11-12,15H,4,7-10H2,1-3H3,(H,20,23)
InChIKeyRBKXDZXCYJVEAR-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.18
Rot. Bonds5

About ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate

ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate (PubChem CID 155234000) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate
PubChem CID155234000
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Nameethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(S(=O)(=O)NC(=O)c2cc3ccc(N(C)C)cc3o2)CC1
InChIInChI=1S/C19H25N3O6S/c1-4-27-19(24)22-9-7-15(8-10-22)29(25,26)20-18(23)17-11-13-5-6-14(21(2)3)12-16(13)28-17/h5-6,11-12,15H,4,7-10H2,1-3H3,(H,20,23)
InChIKeyRBKXDZXCYJVEAR-UHFFFAOYSA-N
XLogP2.18
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate (CID 155234000) is ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(S(=O)(=O)NC(=O)c2cc3ccc(N(C)C)cc3o2)CC1.
What is the InChIKey of ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate?
The InChIKey is RBKXDZXCYJVEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-4-27-19(24)22-9-7-15(8-10-22)29(25,26)20-18(23)17-11-13-5-6-14(21(2)3)12-16(13)28-17/h5-6,11-12,15H,4,7-10H2,1-3H3,(H,20,23).
What are the key properties of ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate?
ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 155234000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).