ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate

C21H27NO6S — CID 58393424

IUPACethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(CN(C2CCC2)S(=O)(=O)c2c(C)cc(OC)cc2C)c1
InChIInChI=1S/C21H27NO6S/c1-5-27-21(23)16-11-19(28-13-16)12-22(17-7-6-8-17)29(24,25)20-14(2)9-18(26-4)10-15(20)3/h9-11,13,17H,5-8,12H2,1-4H3
InChIKeyNVOVTCSRPPSKCM-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.83
Rot. Bonds8

About ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate

ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate (PubChem CID 58393424) has the molecular formula C21H27NO6S and a molecular weight of 421.52 g/mol. Its IUPAC name is ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate
PubChem CID58393424
Molecular FormulaC21H27NO6S
Molecular Weight421.52 g/mol
Exact Mass421.16
IUPAC Nameethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(CN(C2CCC2)S(=O)(=O)c2c(C)cc(OC)cc2C)c1
InChIInChI=1S/C21H27NO6S/c1-5-27-21(23)16-11-19(28-13-16)12-22(17-7-6-8-17)29(24,25)20-14(2)9-18(26-4)10-15(20)3/h9-11,13,17H,5-8,12H2,1-4H3
InChIKeyNVOVTCSRPPSKCM-UHFFFAOYSA-N
XLogP3.83
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-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 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate (CID 58393424) is ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate is CCOC(=O)c1coc(CN(C2CCC2)S(=O)(=O)c2c(C)cc(OC)cc2C)c1.
What is the InChIKey of ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate?
The InChIKey is NVOVTCSRPPSKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6S/c1-5-27-21(23)16-11-19(28-13-16)12-22(17-7-6-8-17)29(24,25)20-14(2)9-18(26-4)10-15(20)3/h9-11,13,17H,5-8,12H2,1-4H3.
What are the key properties of ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate?
ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate has a molecular weight of 421.52 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 58393424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).