N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide

C24H24FN3O4S — CID 55687228

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C24H24FN3O4S/c1-16-12-13-17(14-21(16)27-24(30)19-9-5-6-10-20(19)25)23(29)26-15-18-8-4-7-11-22(18)33(31,32)28(2)3/h4-14H,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyCGRVIOCZBSTCJB-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.57
Rot. Bonds7

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide (PubChem CID 55687228) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
PubChem CID55687228
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C24H24FN3O4S/c1-16-12-13-17(14-21(16)27-24(30)19-9-5-6-10-20(19)25)23(29)26-15-18-8-4-7-11-22(18)33(31,32)28(2)3/h4-14H,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyCGRVIOCZBSTCJB-UHFFFAOYSA-N
XLogP3.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39294946
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide
CID 55909018
3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056
5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide
CID 30459248
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide
CID 55782447
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24614043
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 29455429
3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 120944964
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687960
4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 26060041

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide (CID 55687228) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The InChIKey is CGRVIOCZBSTCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-16-12-13-17(14-21(16)27-24(30)19-9-5-6-10-20(19)25)23(29)26-15-18-8-4-7-11-22(18)33(31,32)28(2)3/h4-14H,15H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide has a molecular weight of 469.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide is sourced from PubChem (CID 55687228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).