2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide

C22H24N4O5S — CID 54782829

IUPAC2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ncn2)cc1
InChIInChI=1S/C22H24N4O5S/c1-3-4-13-31-19-8-6-5-7-18(19)22(27)25-16-9-11-17(12-10-16)32(28,29)26-20-14-21(30-2)24-15-23-20/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyQHEMOXDKFALGRQ-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.72
Rot. Bonds10

About 2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide

2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (PubChem CID 54782829) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
PubChem CID54782829
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ncn2)cc1
InChIInChI=1S/C22H24N4O5S/c1-3-4-13-31-19-8-6-5-7-18(19)22(27)25-16-9-11-17(12-10-16)32(28,29)26-20-14-21(30-2)24-15-23-20/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyQHEMOXDKFALGRQ-UHFFFAOYSA-N
XLogP3.72
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide 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

3-bromo-4-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 54782897
2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940984
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 5165415
2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 4942054
4-butoxy-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 54783349
5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide
CID 54782861
2-ethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078176
N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-pentoxybenzamide
CID 54783344
5-bromo-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-propoxybenzamide
CID 54783300
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978
N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]octanamide
CID 54783345
2-fluoro-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 25047127

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (CID 54782829) is 2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is CCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ncn2)cc1.
What is the InChIKey of 2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is QHEMOXDKFALGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-3-4-13-31-19-8-6-5-7-18(19)22(27)25-16-9-11-17(12-10-16)32(28,29)26-20-14-21(30-2)24-15-23-20/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 456.52 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 54782829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).