N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C23H23N5O4S2 — CID 3939930

IUPACN-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
InChIInChI=1S/C23H23N5O4S2/c1-4-15-5-7-16(8-6-15)19-14-33-23(25-19)24-17-9-11-18(12-10-17)34(29,30)28-20-13-21(31-2)27-22(26-20)32-3/h5-14H,4H2,1-3H3,(H,24,25)(H,26,27,28)
InChIKeyQKRUWWJOVAQCOD-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.72
Rot. Bonds9

About N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 3939930) has the molecular formula C23H23N5O4S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID3939930
Molecular FormulaC23H23N5O4S2
Molecular Weight497.60 g/mol
Exact Mass497.12
IUPAC NameN-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1
InChIInChI=1S/C23H23N5O4S2/c1-4-15-5-7-16(8-6-15)19-14-33-23(25-19)24-17-9-11-18(12-10-17)34(29,30)28-20-13-21(31-2)27-22(26-20)32-3/h5-14H,4H2,1-3H3,(H,24,25)(H,26,27,28)
InChIKeyQKRUWWJOVAQCOD-UHFFFAOYSA-N
XLogP4.72
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide 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-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide bromide
CID 53347266
N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide
CID 171669303
N-(2,6-dimethoxypyrimidin-4-yl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22203987
4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 5076163
4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;hydrobromide
CID 171669300
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043156
N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3-methyl-1,4-dioxonaphthalen-2-yl)amino]benzenesulfonamide
CID 58398247
4-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504080
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2214183
N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
CID 25041756

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 3939930) is N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)n2)cc1.
What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is QKRUWWJOVAQCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S2/c1-4-15-5-7-16(8-6-15)19-14-33-23(25-19)24-17-9-11-18(12-10-17)34(29,30)28-20-13-21(31-2)27-22(26-20)32-3/h5-14H,4H2,1-3H3,(H,24,25)(H,26,27,28).
What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 497.60 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 3939930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).