5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide

C25H27FN2O4S — CID 55869937

IUPAC5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCc1cccc(COC(C)C)c1
InChIInChI=1S/C25H27FN2O4S/c1-17(2)32-16-20-8-6-7-19(13-20)15-27-25(29)22-14-21(12-11-18(22)3)33(30,31)28-24-10-5-4-9-23(24)26/h4-14,17,28H,15-16H2,1-3H3,(H,27,29)
InChIKeyPCRBMKVFVIIAEJ-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.79
Rot. Bonds9

About 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide

5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide (PubChem CID 55869937) has the molecular formula C25H27FN2O4S and a molecular weight of 470.57 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
PubChem CID55869937
Molecular FormulaC25H27FN2O4S
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC Name5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCc1cccc(COC(C)C)c1
InChIInChI=1S/C25H27FN2O4S/c1-17(2)32-16-20-8-6-7-19(13-20)15-27-25(29)22-14-21(12-11-18(22)3)33(30,31)28-24-10-5-4-9-23(24)26/h4-14,17,28H,15-16H2,1-3H3,(H,27,29)
InChIKeyPCRBMKVFVIIAEJ-UHFFFAOYSA-N
XLogP4.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56550971
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
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 24538338
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748210
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 24683131
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533372
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26775783
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide (CID 55869937) is 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCc1cccc(COC(C)C)c1.
What is the InChIKey of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The InChIKey is PCRBMKVFVIIAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4S/c1-17(2)32-16-20-8-6-7-19(13-20)15-27-25(29)22-14-21(12-11-18(22)3)33(30,31)28-24-10-5-4-9-23(24)26/h4-14,17,28H,15-16H2,1-3H3,(H,27,29).
What are the key properties of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.79, 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-(propan-2-yloxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55869937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).