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

C23H26N4O6S — CID 4936152

IUPAC4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1
InChIInChI=1S/C23H26N4O6S/c1-4-5-14-33-18-10-6-16(7-11-18)22(28)24-17-8-12-19(13-9-17)34(29,30)27-20-15-21(31-2)26-23(25-20)32-3/h6-13,15H,4-5,14H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyZGUYOOZPVNOVQY-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.73
Rot. Bonds11

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

4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (PubChem CID 4936152) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is 4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
PubChem CID4936152
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1
InChIInChI=1S/C23H26N4O6S/c1-4-5-14-33-18-10-6-16(7-11-18)22(28)24-17-8-12-19(13-9-17)34(29,30)27-20-15-21(31-2)26-23(25-20)32-3/h6-13,15H,4-5,14H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyZGUYOOZPVNOVQY-UHFFFAOYSA-N
XLogP3.73
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide
CID 1381291
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 5165415
N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4949021
N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956868
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 3643787
3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3635765
4-butoxy-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 54783349
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 2443855
N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-pentoxybenzamide
CID 54783344
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508767
4-(2-ethoxyethoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17112535

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (CID 4936152) is 4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is ZGUYOOZPVNOVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-4-5-14-33-18-10-6-16(7-11-18)22(28)24-17-8-12-19(13-9-17)34(29,30)27-20-15-21(31-2)26-23(25-20)32-3/h6-13,15H,4-5,14H2,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 486.55 g/mol, XLogP of 3.73, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 4936152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).