N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide

C23H36N4O3S — CID 24736898

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C23H36N4O3S/c1-25(2)31(29,30)21-10-11-22-19(15-21)12-14-27(22)23(28)24-20-9-6-13-26(17-20)16-18-7-4-3-5-8-18/h10-11,15,18,20H,3-9,12-14,16-17H2,1-2H3,(H,24,28)
InChIKeyOBHGVGOYNOLBAD-UHFFFAOYSA-N
MW448.63 g/mol
LogP3.05
Rot. Bonds5

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 24736898) has the molecular formula C23H36N4O3S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
PubChem CID24736898
Molecular FormulaC23H36N4O3S
Molecular Weight448.63 g/mol
Exact Mass448.25
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C23H36N4O3S/c1-25(2)31(29,30)21-10-11-22-19(15-21)12-14-27(22)23(28)24-20-9-6-13-26(17-20)16-18-7-4-3-5-8-18/h10-11,15,18,20H,3-9,12-14,16-17H2,1-2H3,(H,24,28)
InChIKeyOBHGVGOYNOLBAD-UHFFFAOYSA-N
XLogP3.05
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(cyclopropylamino)-3,4-dioxocyclobuten-1-yl]piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
CID 24736793
5-(dimethylsulfamoyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736632
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 43926350
N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 53059167
N,N-dimethyl-1-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 95118968
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
1-[2-[3-(diethylamino)pyrrolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 166216813
1-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 24561320
5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 24737435

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide (CID 24736898) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is OBHGVGOYNOLBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3S/c1-25(2)31(29,30)21-10-11-22-19(15-21)12-14-27(22)23(28)24-20-9-6-13-26(17-20)16-18-7-4-3-5-8-18/h10-11,15,18,20H,3-9,12-14,16-17H2,1-2H3,(H,24,28).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 448.63 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 24736898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).