N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide

C57H48N10O3S — CID 123695391

IUPACN-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide
SMILESO=C(NCc1ccc(CCn2cc(-c3cccnc3)nn2)cc1)c1ccccc1-c1cccc(-c2ccc(-c3ccccc3S(=O)(=O)NCCc3ccc(Cn4cc(-c5cccnc5)nn4)cc3)cc2)c1
InChIInChI=1S/C57H48N10O3S/c68-57(60-35-43-20-16-42(17-21-43)29-33-66-39-54(62-64-66)49-10-6-30-58-36-49)53-14-2-1-12-51(53)48-9-5-8-47(34-48)45-24-26-46(27-25-45)52-13-3-4-15-56(52)71(69,70)61-32-28-41-18-22-44(23-19-41)38-67-40-55(63-65-67)50-11-7-31-59-37-50/h1-27,30-31,34,36-37,39-40,61H,28-29,32-33,35,38H2,(H,60,68)
InChIKeySKULNLFRAPTBMA-UHFFFAOYSA-N
MW953.15 g/mol
LogP9.74
Rot. Bonds18

About N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide

N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide (PubChem CID 123695391) has the molecular formula C57H48N10O3S and a molecular weight of 953.15 g/mol. Its IUPAC name is N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide
PubChem CID123695391
Molecular FormulaC57H48N10O3S
Molecular Weight953.15 g/mol
Exact Mass952.36
IUPAC NameN-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide
SMILESO=C(NCc1ccc(CCn2cc(-c3cccnc3)nn2)cc1)c1ccccc1-c1cccc(-c2ccc(-c3ccccc3S(=O)(=O)NCCc3ccc(Cn4cc(-c5cccnc5)nn4)cc3)cc2)c1
InChIInChI=1S/C57H48N10O3S/c68-57(60-35-43-20-16-42(17-21-43)29-33-66-39-54(62-64-66)49-10-6-30-58-36-49)53-14-2-1-12-51(53)48-9-5-8-47(34-48)45-24-26-46(27-25-45)52-13-3-4-15-56(52)71(69,70)61-32-28-41-18-22-44(23-19-41)38-67-40-55(63-65-67)50-11-7-31-59-37-50/h1-27,30-31,34,36-37,39-40,61H,28-29,32-33,35,38H2,(H,60,68)
InChIKeySKULNLFRAPTBMA-UHFFFAOYSA-N
XLogP9.74
TPSA162.47 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500953.15
LogP ≤ 59.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide with MolForge

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Related Compounds

2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 90795652
5-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-N-methylpyridine-2-carboxamide;4-(2,4-difluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzenesulfonamide;4-(2-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyltriazole;1-methyl-4-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyrazole
CID 159257911
N-cyclohexyl-4-[5-[[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]-2-pyridinyl]benzamide
CID 9895255
N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
CID 24823526
4-[({[4-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl]sulfonyl}amino)methyl]-N-(3-pyridinyl)benzamide
CID 50913730
2-indol-1-ylsulfonyl-3-phenyl-N-(pyrazin-2-ylmethyl)benzamide
CID 69566740
2-phenyl-5-[4-phenyl-3-[6-(4-pyridin-3-yltriazol-1-yl)hexylcarbamoylamino]phenyl]-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide
CID 123152195
2-phenyl-5-[4-[2-[7-(4-pyridin-3-yltriazol-1-yl)heptylsulfamoyl]phenyl]phenyl]-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzenesulfonamide
CID 123709772
4-[4-[[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 139943668
4-[4-[[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide
CID 139943669
N-cyclohexyl-6-[4-[[(2-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 139943689
N-cyclohexyl-4-[6-[[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]benzamide
CID 139943692

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide?
The IUPAC name of N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide (CID 123695391) is N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide.
What is the SMILES notation for N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide?
The canonical SMILES for N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide is O=C(NCc1ccc(CCn2cc(-c3cccnc3)nn2)cc1)c1ccccc1-c1cccc(-c2ccc(-c3ccccc3S(=O)(=O)NCCc3ccc(Cn4cc(-c5cccnc5)nn4)cc3)cc2)c1.
What is the InChIKey of N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide?
The InChIKey is SKULNLFRAPTBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N10O3S/c68-57(60-35-43-20-16-42(17-21-43)29-33-66-39-54(62-64-66)49-10-6-30-58-36-49)53-14-2-1-12-51(53)48-9-5-8-47(34-48)45-24-26-46(27-25-45)52-13-3-4-15-56(52)71(69,70)61-32-28-41-18-22-44(23-19-41)38-67-40-55(63-65-67)50-11-7-31-59-37-50/h1-27,30-31,34,36-37,39-40,61H,28-29,32-33,35,38H2,(H,60,68).
What are the key properties of N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide?
N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide has a molecular weight of 953.15 g/mol, XLogP of 9.74, 18 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]phenyl]methyl]-2-[3-[4-[2-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethylsulfamoyl]phenyl]phenyl]phenyl]benzamide is sourced from PubChem (CID 123695391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).