N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide

C19H24N6O4S — CID 69314380

IUPACN-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(COC)n3C)n2)cc1
InChIInChI=1S/C19H24N6O4S/c1-25-17(12-21-18(25)13-29-3)16-8-9-20-19(24-16)23-14-4-6-15(7-5-14)30(26,27)22-10-11-28-2/h4-9,12,22H,10-11,13H2,1-3H3,(H,20,23,24)
InChIKeyURVXFLYFLFKCTH-UHFFFAOYSA-N
MW432.51 g/mol
LogP1.69
Rot. Bonds10

About N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide

N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 69314380) has the molecular formula C19H24N6O4S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID69314380
Molecular FormulaC19H24N6O4S
Molecular Weight432.51 g/mol
Exact Mass432.16
IUPAC NameN-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(COC)n3C)n2)cc1
InChIInChI=1S/C19H24N6O4S/c1-25-17(12-21-18(25)13-29-3)16-8-9-20-19(24-16)23-14-4-6-15(7-5-14)30(26,27)22-10-11-28-2/h4-9,12,22H,10-11,13H2,1-3H3,(H,20,23,24)
InChIKeyURVXFLYFLFKCTH-UHFFFAOYSA-N
XLogP1.69
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 170987320
4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide
CID 6539026
4-[[4-[3-(cyclopropylmethyl)-2-(2-methylprop-1-enyl)imidazol-4-yl]pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 68881901
N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10294302
N-(2-ethoxyethyl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 24887950
N-(2-methoxyethyl)-4-[[4-[2-(2-methyl-1-oxopropan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 87890834
4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine
CID 69314565
4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide
CID 174526022
4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-propylsulfonylphenyl)pyrimidin-2-amine
CID 44588964
benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate
CID 150543572
4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 142660390
N-(2-methoxyethyl)-4-[(6-oxo-5,7-dihydropyrimido[5,4-d][1]benzazepin-2-yl)amino]benzenesulfonamide
CID 59852007

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide (CID 69314380) is N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide is COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(COC)n3C)n2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is URVXFLYFLFKCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S/c1-25-17(12-21-18(25)13-29-3)16-8-9-20-19(24-16)23-14-4-6-15(7-5-14)30(26,27)22-10-11-28-2/h4-9,12,22H,10-11,13H2,1-3H3,(H,20,23,24).
What are the key properties of N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 432.51 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 69314380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).