5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide

C24H25FN2O4S — CID 24533372

IUPAC5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
SMILESCc1cccc(OCCCNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c1
InChIInChI=1S/C24H25FN2O4S/c1-17-7-5-8-19(15-17)31-14-6-13-26-24(28)21-16-20(12-11-18(21)2)32(29,30)27-23-10-4-3-9-22(23)25/h3-5,7-12,15-16,27H,6,13-14H2,1-2H3,(H,26,28)
InChIKeyWLNNEASBNQDYKT-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.44
Rot. Bonds9

About 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide

5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide (PubChem CID 24533372) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
PubChem CID24533372
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
SMILESCc1cccc(OCCCNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c1
InChIInChI=1S/C24H25FN2O4S/c1-17-7-5-8-19(15-17)31-14-6-13-26-24(28)21-16-20(12-11-18(21)2)32(29,30)27-23-10-4-3-9-22(23)25/h3-5,7-12,15-16,27H,6,13-14H2,1-2H3,(H,26,28)
InChIKeyWLNNEASBNQDYKT-UHFFFAOYSA-N
XLogP4.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27859379
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
5-[(2-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 4781193
2-chloro-N-[2-(3-fluorophenoxy)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55657410
propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56550971
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenylpropyl)benzamide
CID 43003232
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 31166045
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26775783

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide?
The IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide (CID 24533372) is 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide?
The canonical SMILES for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide is Cc1cccc(OCCCNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c1.
What is the InChIKey of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide?
The InChIKey is WLNNEASBNQDYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-17-7-5-8-19(15-17)31-14-6-13-26-24(28)21-16-20(12-11-18(21)2)32(29,30)27-23-10-4-3-9-22(23)25/h3-5,7-12,15-16,27H,6,13-14H2,1-2H3,(H,26,28).
What are the key properties of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide?
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide has a molecular weight of 456.54 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide is sourced from PubChem (CID 24533372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).