N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen

C25H31N3O3S — CID 159191136

IUPACN-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccccc4)CCCCC3)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C25H27N3O3S.2H2/c1-26-32(30,31)21-15-13-19(14-16-21)22-11-8-12-23(27-22)28-24(29)25(17-6-3-7-18-25)20-9-4-2-5-10-20;;/h2,4-5,8-16,26H,3,6-7,17-18H2,1H3,(H,27,28,29);2*1H
InChIKeyKOCGKNSMFNRKQL-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.99
Rot. Bonds6

About N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen

N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen (PubChem CID 159191136) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen
PubChem CID159191136
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccccc4)CCCCC3)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C25H27N3O3S.2H2/c1-26-32(30,31)21-15-13-19(14-16-21)22-11-8-12-23(27-22)28-24(29)25(17-6-3-7-18-25)20-9-4-2-5-10-20;;/h2,4-5,8-16,26H,3,6-7,17-18H2,1H3,(H,27,28,29);2*1H
InChIKeyKOCGKNSMFNRKQL-UHFFFAOYSA-N
XLogP4.99
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen (CID 159191136) is N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccccc4)CCCCC3)n2)cc1.[H][H].[H][H].
What is the InChIKey of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen?
The InChIKey is KOCGKNSMFNRKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S.2H2/c1-26-32(30,31)21-15-13-19(14-16-21)22-11-8-12-23(27-22)28-24(29)25(17-6-3-7-18-25)20-9-4-2-5-10-20;;/h2,4-5,8-16,26H,3,6-7,17-18H2,1H3,(H,27,28,29);2*1H.
What are the key properties of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen?
N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen has a molecular weight of 453.61 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159191136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).