N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide

C24H27N3O3S — CID 56586349

IUPACN-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCCNc2ccccc2)c1
InChIInChI=1S/C24H27N3O3S/c1-18-13-14-21(31(29,30)27-23-12-7-6-9-19(23)2)17-22(18)24(28)26-16-8-15-25-20-10-4-3-5-11-20/h3-7,9-14,17,25,27H,8,15-16H2,1-2H3,(H,26,28)
InChIKeyQYKITUWMSIODLP-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.34
Rot. Bonds9

About N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide

N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 56586349) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID56586349
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCCNc2ccccc2)c1
InChIInChI=1S/C24H27N3O3S/c1-18-13-14-21(31(29,30)27-23-12-7-6-9-19(23)2)17-22(18)24(28)26-16-8-15-25-20-10-4-3-5-11-20/h3-7,9-14,17,25,27H,8,15-16H2,1-2H3,(H,26,28)
InChIKeyQYKITUWMSIODLP-UHFFFAOYSA-N
XLogP4.34
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
5-[(2-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 4781193
2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223855
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenylpropyl)benzamide
CID 43003232
2-methoxy-5-[(2-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 27261659
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25470615
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533372
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 42279085
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide (CID 56586349) is N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCCNc2ccccc2)c1.
What is the InChIKey of N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is QYKITUWMSIODLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-18-13-14-21(31(29,30)27-23-12-7-6-9-19(23)2)17-22(18)24(28)26-16-8-15-25-20-10-4-3-5-11-20/h3-7,9-14,17,25,27H,8,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 437.57 g/mol, XLogP of 4.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 56586349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).