3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

C23H24N4O5S — CID 2965125

IUPAC3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCC3COc4ccccc4O3)cc2)n1
InChIInChI=1S/C23H24N4O5S/c1-15-13-16(2)25-23(24-15)27-33(29,30)19-10-7-17(8-11-19)26-22(28)12-9-18-14-31-20-5-3-4-6-21(20)32-18/h3-8,10-11,13,18H,9,12,14H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyILHSURHXJGDGFF-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.45
Rot. Bonds7

About 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 2965125) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID2965125
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCC3COc4ccccc4O3)cc2)n1
InChIInChI=1S/C23H24N4O5S/c1-15-13-16(2)25-23(24-15)27-33(29,30)19-10-7-17(8-11-19)26-22(28)12-9-18-14-31-20-5-3-4-6-21(20)32-18/h3-8,10-11,13,18H,9,12,14H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyILHSURHXJGDGFF-UHFFFAOYSA-N
XLogP3.45
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-3,4-dimethoxybenzenesulfonamide
CID 2068297
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenoxyacetamide
CID 1116398
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788595
N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1191580
N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-ethoxyphenoxy)acetamide
CID 1193009
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-4-o-tolyloxy-butyramide
CID 1564331
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 2998330
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-3,4-dimethoxy-benzamide
CID 1039147
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-(2-methoxyphenoxy)acetamide
CID 660126
4-butoxy-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1587504
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 2562410
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-fluorophenoxy)propanamide
CID 2934575

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (CID 2965125) is 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCC3COc4ccccc4O3)cc2)n1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is ILHSURHXJGDGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-15-13-16(2)25-23(24-15)27-33(29,30)19-10-7-17(8-11-19)26-22(28)12-9-18-14-31-20-5-3-4-6-21(20)32-18/h3-8,10-11,13,18H,9,12,14H2,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 468.54 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 2965125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).