N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide

C24H22FN3O4S — CID 55992810

IUPACN-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC
InChIInChI=1S/C24H22FN3O4S/c1-27-33(30,31)23-13-20(10-11-22(23)32-2)24(29)28(16-19-4-3-5-21(25)12-19)15-18-8-6-17(14-26)7-9-18/h3-13,27H,15-16H2,1-2H3
InChIKeyUVSIJFQWDCQSHF-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.46
Rot. Bonds8

About N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide

N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 55992810) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID55992810
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC NameN-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC
InChIInChI=1S/C24H22FN3O4S/c1-27-33(30,31)23-13-20(10-11-22(23)32-2)24(29)28(16-19-4-3-5-21(25)12-19)15-18-8-6-17(14-26)7-9-18/h3-13,27H,15-16H2,1-2H3
InChIKeyUVSIJFQWDCQSHF-UHFFFAOYSA-N
XLogP3.46
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 55513170
3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 55438061
N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55992039
(3-fluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974215
4-[[(5-acetyl-2-methoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
CID 55987376
4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 8966511
N-[(4-cyanophenyl)methyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55769720
3-bromo-N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55993585
3-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 46591114
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115
2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 55986354
N-[(4-cyanophenyl)methyl]-4-(difluoromethoxy)-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 55717695

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide (CID 55992810) is N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ccc1OC.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is UVSIJFQWDCQSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-27-33(30,31)23-13-20(10-11-22(23)32-2)24(29)28(16-19-4-3-5-21(25)12-19)15-18-8-6-17(14-26)7-9-18/h3-13,27H,15-16H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 467.52 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55992810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).