N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide

C19H20N2O4S2 — CID 108780108

IUPACN-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide
SMILESCOc1ccc(-c2csc(-c3ccc(CNS(C)(=O)=O)cc3)n2)cc1OC
InChIInChI=1S/C19H20N2O4S2/c1-24-17-9-8-15(10-18(17)25-2)16-12-26-19(21-16)14-6-4-13(5-7-14)11-20-27(3,22)23/h4-10,12,20H,11H2,1-3H3
InChIKeyUFPXXMVHUXUDGF-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.54
Rot. Bonds7

About N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide

N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide (PubChem CID 108780108) has the molecular formula C19H20N2O4S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide
PubChem CID108780108
Molecular FormulaC19H20N2O4S2
Molecular Weight404.51 g/mol
Exact Mass404.09
IUPAC NameN-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide
SMILESCOc1ccc(-c2csc(-c3ccc(CNS(C)(=O)=O)cc3)n2)cc1OC
InChIInChI=1S/C19H20N2O4S2/c1-24-17-9-8-15(10-18(17)25-2)16-12-26-19(21-16)14-6-4-13(5-7-14)11-20-27(3,22)23/h4-10,12,20H,11H2,1-3H3
InChIKeyUFPXXMVHUXUDGF-UHFFFAOYSA-N
XLogP3.54
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide 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 N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide (CID 108780108) is N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide is COc1ccc(-c2csc(-c3ccc(CNS(C)(=O)=O)cc3)n2)cc1OC.
What is the InChIKey of N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is UFPXXMVHUXUDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S2/c1-24-17-9-8-15(10-18(17)25-2)16-12-26-19(21-16)14-6-4-13(5-7-14)11-20-27(3,22)23/h4-10,12,20H,11H2,1-3H3.
What are the key properties of N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide?
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 404.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 108780108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).