N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide

C21H24N6O3S — CID 44531516

IUPACN-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cc(Cc3cnc(N)nc3N)cc2C)cc1
InChIInChI=1S/C21H24N6O3S/c1-12-8-15(10-16-11-24-21(23)26-20(16)22)9-13(2)19(12)27-31(29,30)18-6-4-17(5-7-18)25-14(3)28/h4-9,11,27H,10H2,1-3H3,(H,25,28)(H4,22,23,24,26)
InChIKeyAXSISMZQEHDCOI-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.61
Rot. Bonds6

About N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide (PubChem CID 44531516) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide
PubChem CID44531516
Molecular FormulaC21H24N6O3S
Molecular Weight440.53 g/mol
Exact Mass440.16
IUPAC NameN-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cc(Cc3cnc(N)nc3N)cc2C)cc1
InChIInChI=1S/C21H24N6O3S/c1-12-8-15(10-16-11-24-21(23)26-20(16)22)9-13(2)19(12)27-31(29,30)18-6-4-17(5-7-18)25-14(3)28/h4-9,11,27H,10H2,1-3H3,(H,25,28)(H4,22,23,24,26)
InChIKeyAXSISMZQEHDCOI-UHFFFAOYSA-N
XLogP2.61
TPSA153.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide 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-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide (CID 44531516) is N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cc(Cc3cnc(N)nc3N)cc2C)cc1.
What is the InChIKey of N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is AXSISMZQEHDCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S/c1-12-8-15(10-16-11-24-21(23)26-20(16)22)9-13(2)19(12)27-31(29,30)18-6-4-17(5-7-18)25-14(3)28/h4-9,11,27H,10H2,1-3H3,(H,25,28)(H4,22,23,24,26).
What are the key properties of N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 440.53 g/mol, XLogP of 2.61, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 44531516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).