N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide

C20H21NO5S — CID 169371438

IUPACN-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(-c2ccc(CO)o2)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H21NO5S/c1-3-25-20-10-6-15(19-11-7-16(13-22)26-19)12-18(20)21-27(23,24)17-8-4-14(2)5-9-17/h4-12,21-22H,3,13H2,1-2H3
InChIKeyLHRIPZVXXOKQJV-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.95
Rot. Bonds7

About N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide

N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 169371438) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide
PubChem CID169371438
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC NameN-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(-c2ccc(CO)o2)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H21NO5S/c1-3-25-20-10-6-15(19-11-7-16(13-22)26-19)12-18(20)21-27(23,24)17-8-4-14(2)5-9-17/h4-12,21-22H,3,13H2,1-2H3
InChIKeyLHRIPZVXXOKQJV-UHFFFAOYSA-N
XLogP3.95
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide 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

N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169372273
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164
N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
CID 3792893
3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 9055901
5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688117
3,4,5-triethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28675160
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 24656665

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide (CID 169371438) is N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide is CCOc1ccc(-c2ccc(CO)o2)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is LHRIPZVXXOKQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-3-25-20-10-6-15(19-11-7-16(13-22)26-19)12-18(20)21-27(23,24)17-8-4-14(2)5-9-17/h4-12,21-22H,3,13H2,1-2H3.
What are the key properties of N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide?
N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).