5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide

C23H25BrN4O5S — CID 54782861

IUPAC5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3OCCC(C)C)cc2)ncn1
InChIInChI=1S/C23H25BrN4O5S/c1-15(2)10-11-33-20-9-4-16(24)12-19(20)23(29)27-17-5-7-18(8-6-17)34(30,31)28-21-13-22(32-3)26-14-25-21/h4-9,12-15H,10-11H2,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyFBGYTVCDCCXQRG-UHFFFAOYSA-N
MW549.45 g/mol
LogP4.73
Rot. Bonds10

About 5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide

5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide (PubChem CID 54782861) has the molecular formula C23H25BrN4O5S and a molecular weight of 549.45 g/mol. Its IUPAC name is 5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide
PubChem CID54782861
Molecular FormulaC23H25BrN4O5S
Molecular Weight549.45 g/mol
Exact Mass548.07
IUPAC Name5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3OCCC(C)C)cc2)ncn1
InChIInChI=1S/C23H25BrN4O5S/c1-15(2)10-11-33-20-9-4-16(24)12-19(20)23(29)27-17-5-7-18(8-6-17)34(30,31)28-21-13-22(32-3)26-14-25-21/h4-9,12-15H,10-11H2,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyFBGYTVCDCCXQRG-UHFFFAOYSA-N
XLogP4.73
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.45
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)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

5-bromo-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-propoxybenzamide
CID 54783300
2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 54782829
5-bromo-2-(3-methylbutoxy)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17350957
3-bromo-4-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 54782897
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350783
5-bromo-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 54783056
5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094227
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-5-bromo-2-(3-methylbutoxy)benzamide
CID 17351042
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350697
5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352839

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide?
The IUPAC name of 5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide (CID 54782861) is 5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide?
The canonical SMILES for 5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3OCCC(C)C)cc2)ncn1.
What is the InChIKey of 5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide?
The InChIKey is FBGYTVCDCCXQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O5S/c1-15(2)10-11-33-20-9-4-16(24)12-19(20)23(29)27-17-5-7-18(8-6-17)34(30,31)28-21-13-22(32-3)26-14-25-21/h4-9,12-15H,10-11H2,1-3H3,(H,27,29)(H,25,26,28).
What are the key properties of 5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide?
5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide has a molecular weight of 549.45 g/mol, XLogP of 4.73, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 54782861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).