N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide

C25H30N4O3S — CID 50802064

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCCC1=CCCCC1)n2Cc1ccncc1
InChIInChI=1S/C25H30N4O3S/c1-28(2)33(31,32)22-8-9-23-21(16-22)17-24(29(23)18-20-10-13-26-14-11-20)25(30)27-15-12-19-6-4-3-5-7-19/h6,8-11,13-14,16-17H,3-5,7,12,15,18H2,1-2H3,(H,27,30)
InChIKeyOWFAGPWPJFOSFU-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.96
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide (PubChem CID 50802064) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide
PubChem CID50802064
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCCC1=CCCCC1)n2Cc1ccncc1
InChIInChI=1S/C25H30N4O3S/c1-28(2)33(31,32)22-8-9-23-21(16-22)17-24(29(23)18-20-10-13-26-14-11-20)25(30)27-15-12-19-6-4-3-5-7-19/h6,8-11,13-14,16-17H,3-5,7,12,15,18H2,1-2H3,(H,27,30)
InChIKeyOWFAGPWPJFOSFU-UHFFFAOYSA-N
XLogP3.96
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159732
N-[2-(cyclohexen-1-yl)ethyl]-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide
CID 53077726
N-[2-(cyclohexen-1-yl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 29261731
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648906
1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide
CID 50801746
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 30500581
N-[2-(cyclohexen-1-yl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31364918
5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 50802022
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 61147188
6-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364541
2-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109166673

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide (CID 50802064) is N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide is CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCCC1=CCCCC1)n2Cc1ccncc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
The InChIKey is OWFAGPWPJFOSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-28(2)33(31,32)22-8-9-23-21(16-22)17-24(29(23)18-20-10-13-26-14-11-20)25(30)27-15-12-19-6-4-3-5-7-19/h6,8-11,13-14,16-17H,3-5,7,12,15,18H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 50802064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).