[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate

C17H22N2O7S2 — CID 55730896

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)c1
InChIInChI=1S/C17H22N2O7S2/c1-5-18-27(21,22)14-8-6-12(2)15(10-14)17(20)25-11-13-7-9-16(26-13)28(23,24)19(3)4/h6-10,18H,5,11H2,1-4H3
InChIKeyYPIDLRFMSXVVNK-UHFFFAOYSA-N
MW430.50 g/mol
LogP1.49
Rot. Bonds8

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate (PubChem CID 55730896) has the molecular formula C17H22N2O7S2 and a molecular weight of 430.50 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate
PubChem CID55730896
Molecular FormulaC17H22N2O7S2
Molecular Weight430.50 g/mol
Exact Mass430.09
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)c1
InChIInChI=1S/C17H22N2O7S2/c1-5-18-27(21,22)14-8-6-12(2)15(10-14)17(20)25-11-13-7-9-16(26-13)28(23,24)19(3)4/h6-10,18H,5,11H2,1-4H3
InChIKeyYPIDLRFMSXVVNK-UHFFFAOYSA-N
XLogP1.49
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate with MolForge

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

Launch Full Analysis

Related Compounds

[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55730450
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-chloro-4,5-difluorobenzoate
CID 55733852
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 55401208
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 55733821
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate
CID 55730705
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3,5-difluorobenzoate
CID 55730540
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate
CID 55730864
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate
CID 55730810
[3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 42986561
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate
CID 55730706
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-nitrofuran-2-carboxylate
CID 55730432

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate (CID 55730896) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate is CCNS(=O)(=O)c1ccc(C)c(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)c1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate?
The InChIKey is YPIDLRFMSXVVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O7S2/c1-5-18-27(21,22)14-8-6-12(2)15(10-14)17(20)25-11-13-7-9-16(26-13)28(23,24)19(3)4/h6-10,18H,5,11H2,1-4H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate has a molecular weight of 430.50 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 55730896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).