3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide

C24H25FN2O5S — CID 55981707

IUPAC3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2Oc2cccc(F)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C24H25FN2O5S/c1-24(2,3)27-33(29,30)22-14-16(12-13-21(22)31-4)23(28)26-19-10-5-6-11-20(19)32-18-9-7-8-17(25)15-18/h5-15,27H,1-4H3,(H,26,28)
InChIKeyBQFCUDMXTFFTNW-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.96
Rot. Bonds7

About 3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide

3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide (PubChem CID 55981707) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide
PubChem CID55981707
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC Name3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2Oc2cccc(F)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C24H25FN2O5S/c1-24(2,3)27-33(29,30)22-14-16(12-13-21(22)31-4)23(28)26-19-10-5-6-11-20(19)32-18-9-7-8-17(25)15-18/h5-15,27H,1-4H3,(H,26,28)
InChIKeyBQFCUDMXTFFTNW-UHFFFAOYSA-N
XLogP4.96
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178
4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide
CID 60557163
4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 55989473
4-methoxy-N-(2-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26881544
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 52725278
N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 27693844
3-[(5-carboxy-2-methoxyphenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 56507584
3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55987169
methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate
CID 55982604
4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24681357

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide (CID 55981707) is 3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2Oc2cccc(F)c2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide?
The InChIKey is BQFCUDMXTFFTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-24(2,3)27-33(29,30)22-14-16(12-13-21(22)31-4)23(28)26-19-10-5-6-11-20(19)32-18-9-7-8-17(25)15-18/h5-15,27H,1-4H3,(H,26,28).
What are the key properties of 3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide?
3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide has a molecular weight of 472.54 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 55981707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).