5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide

C46H56Cl2N6O10S2 — CID 159796325

IUPAC5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
SMILES[2H]C1(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc(Cl)ccc3OC)cc2)CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1.[2H]C1([2H])CCCC([2H])([2H])C1([2H])NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/2C23H28ClN3O5S/c2*1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h2*7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)/i2D2,3D2,4D2,18D;5D2,6D2,18D
InChIKeyNJFISJZJHIHVIS-DVOBBREPSA-N
MW1000.10 g/mol
LogP7.28
Rot. Bonds16

About 5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide

5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide (PubChem CID 159796325) has the molecular formula C46H56Cl2N6O10S2 and a molecular weight of 1000.10 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
PubChem CID159796325
Molecular FormulaC46H56Cl2N6O10S2
Molecular Weight1000.10 g/mol
Exact Mass998.36
IUPAC Name5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
SMILES[2H]C1(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc(Cl)ccc3OC)cc2)CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1.[2H]C1([2H])CCCC([2H])([2H])C1([2H])NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/2C23H28ClN3O5S/c2*1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h2*7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)/i2D2,3D2,4D2,18D;5D2,6D2,18D
InChIKeyNJFISJZJHIHVIS-DVOBBREPSA-N
XLogP7.28
TPSA227.20 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001000.10
LogP ≤ 57.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide with MolForge

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Related Compounds

5-chloro-2-methoxy-N-[2-[4-[(3,3,4,5,5-pentadeuterio-4-hydroxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
CID 171391674
cerium;5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
CID 88767103
5-chloro-N-[2-[4-[(4-hydroxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide
CID 3082214
3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
CID 59335391
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
CID 44567440
5-chloro-N-[2-[4-[[(1S,3R)-3-hydroxycyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-2-(trideuterio(113C)methoxy)benzamide
CID 46781811
5-chloro-N-[2-[4-[[N-cyclohexyl-C-(nitromethyl)carbonimidoyl]sulfamoyl]phenyl]ethyl]-2-methoxybenzamide
CID 90846686
5-chloro-N-[2-[4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide
CID 167704694
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;3,8,9-trihydroxybenzo[c]chromen-6-one
CID 91754689
N-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 162398078
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
The IUPAC name of 5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide (CID 159796325) is 5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide.
What is the SMILES notation for 5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
The canonical SMILES for 5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide is [2H]C1(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc(Cl)ccc3OC)cc2)CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1.[2H]C1([2H])CCCC([2H])([2H])C1([2H])NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
The InChIKey is NJFISJZJHIHVIS-DVOBBREPSA-N. The full InChI is InChI=1S/2C23H28ClN3O5S/c2*1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h2*7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)/i2D2,3D2,4D2,18D;5D2,6D2,18D.
What are the key properties of 5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide has a molecular weight of 1000.10 g/mol, XLogP of 7.28, 16 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 159796325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).