N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide

C18H19NO6S2 — CID 121133566

IUPACN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(O)c3ccco3)s2)cc1OC
InChIInChI=1S/C18H19NO6S2/c1-23-14-7-6-13(10-16(14)24-2)27(21,22)19-11-12-5-8-17(26-12)18(20)15-4-3-9-25-15/h3-10,18-20H,11H2,1-2H3
InChIKeyABFPPPWHAAPRPD-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.92
Rot. Bonds8

About N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide

N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 121133566) has the molecular formula C18H19NO6S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID121133566
Molecular FormulaC18H19NO6S2
Molecular Weight409.49 g/mol
Exact Mass409.07
IUPAC NameN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(O)c3ccco3)s2)cc1OC
InChIInChI=1S/C18H19NO6S2/c1-23-14-7-6-13(10-16(14)24-2)27(21,22)19-11-12-5-8-17(26-12)18(20)15-4-3-9-25-15/h3-10,18-20H,11H2,1-2H3
InChIKeyABFPPPWHAAPRPD-UHFFFAOYSA-N
XLogP2.92
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide 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

3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133529
4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 99873374
5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121133548
2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133577
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 73167915
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 41193078
5-[2,2-bis(furan-2-yl)ethylsulfamoyl]-2-methoxybenzamide
CID 131703692
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121133584
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218
4-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167916
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934

Frequently Asked Questions

What is the IUPAC name of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide (CID 121133566) is N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(C(O)c3ccco3)s2)cc1OC.
What is the InChIKey of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is ABFPPPWHAAPRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S2/c1-23-14-7-6-13(10-16(14)24-2)27(21,22)19-11-12-5-8-17(26-12)18(20)15-4-3-9-25-15/h3-10,18-20H,11H2,1-2H3.
What are the key properties of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 409.49 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 121133566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).