N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide

C23H22FN3O4S — CID 55816215

IUPACN-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)cc1
InChIInChI=1S/C23H22FN3O4S/c1-3-25-22(28)16-8-10-18(11-9-16)26-23(29)17-5-4-6-19(13-17)27-32(30,31)20-12-7-15(2)21(24)14-20/h4-14,27H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUBUFRCGOSLBSOQ-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.94
Rot. Bonds7

About N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide

N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (PubChem CID 55816215) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
PubChem CID55816215
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC NameN-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)cc1
InChIInChI=1S/C23H22FN3O4S/c1-3-25-22(28)16-8-10-18(11-9-16)26-23(29)17-5-4-6-19(13-17)27-32(30,31)20-12-7-15(2)21(24)14-20/h4-14,27H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUBUFRCGOSLBSOQ-UHFFFAOYSA-N
XLogP3.94
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33033434
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 112770785
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27760804
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
CID 78794508
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 155967978
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 46494646
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835606
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (CID 55816215) is N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is CCNC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)cc1.
What is the InChIKey of N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is UBUFRCGOSLBSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c1-3-25-22(28)16-8-10-18(11-9-16)26-23(29)17-5-4-6-19(13-17)27-32(30,31)20-12-7-15(2)21(24)14-20/h4-14,27H,3H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 455.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55816215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).