N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide

C26H30N2O4S — CID 4981702

IUPACN-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OCCC(C)C)c3)cc2)c1
InChIInChI=1S/C26H30N2O4S/c1-18(2)12-13-32-24-7-5-6-21(17-24)26(29)27-22-8-10-25(11-9-22)33(30,31)28-23-15-19(3)14-20(4)16-23/h5-11,14-18,28H,12-13H2,1-4H3,(H,27,29)
InChIKeyBQYDAIUFZPGBEY-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.78
Rot. Bonds9

About N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide

N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide (PubChem CID 4981702) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide
PubChem CID4981702
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OCCC(C)C)c3)cc2)c1
InChIInChI=1S/C26H30N2O4S/c1-18(2)12-13-32-24-7-5-6-21(17-24)26(29)27-22-8-10-25(11-9-22)33(30,31)28-23-15-19(3)14-20(4)16-23/h5-11,14-18,28H,12-13H2,1-4H3,(H,27,29)
InChIKeyBQYDAIUFZPGBEY-UHFFFAOYSA-N
XLogP5.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(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

N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 17149747
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17170974
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4954948
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 4951888

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide?
The IUPAC name of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide (CID 4981702) is N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OCCC(C)C)c3)cc2)c1.
What is the InChIKey of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide?
The InChIKey is BQYDAIUFZPGBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-18(2)12-13-32-24-7-5-6-21(17-24)26(29)27-22-8-10-25(11-9-22)33(30,31)28-23-15-19(3)14-20(4)16-23/h5-11,14-18,28H,12-13H2,1-4H3,(H,27,29).
What are the key properties of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide?
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide has a molecular weight of 466.60 g/mol, XLogP of 5.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4981702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).