N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide

C25H32N4O2S — CID 70859443

IUPACN-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(N4CCCCC4)cc3n2C2CCC2)cc1
InChIInChI=1S/C25H32N4O2S/c1-2-32(30,31)27-19-11-9-18(10-12-19)25-24(26)22-14-13-21(28-15-4-3-5-16-28)17-23(22)29(25)20-7-6-8-20/h9-14,17,20,27H,2-8,15-16,26H2,1H3
InChIKeyABQGWFPMPXJPBW-UHFFFAOYSA-N
MW452.62 g/mol
LogP5.37
Rot. Bonds6

About N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide

N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide (PubChem CID 70859443) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide
PubChem CID70859443
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC NameN-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(N4CCCCC4)cc3n2C2CCC2)cc1
InChIInChI=1S/C25H32N4O2S/c1-2-32(30,31)27-19-11-9-18(10-12-19)25-24(26)22-14-13-21(28-15-4-3-5-16-28)17-23(22)29(25)20-7-6-8-20/h9-14,17,20,27H,2-8,15-16,26H2,1H3
InChIKeyABQGWFPMPXJPBW-UHFFFAOYSA-N
XLogP5.37
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.62
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide
CID 59425357
N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide
CID 59426243
N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide
CID 89344177
N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide
CID 71177346
N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844247
N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]-2,2-dimethylpropane-1-sulfonamide
CID 88923726
N-[4-[3-amino-6-[(2-chloro-3-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide
CID 89004946
[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-amino-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate
CID 70826212
N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide
CID 59425807
1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]-6-morpholin-4-ylindole-3-carbonitrile
CID 59424995
propan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethylsulfinylindol-2-yl)phenyl]carbamate
CID 71177353
tert-butyl N-[4-(3-amino-1-cyclobutyl-6-cyclopropylindol-2-yl)phenyl]carbamate
CID 70858964

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide (CID 70859443) is N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(N4CCCCC4)cc3n2C2CCC2)cc1.
What is the InChIKey of N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide?
The InChIKey is ABQGWFPMPXJPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S/c1-2-32(30,31)27-19-11-9-18(10-12-19)25-24(26)22-14-13-21(28-15-4-3-5-16-28)17-23(22)29(25)20-7-6-8-20/h9-14,17,20,27H,2-8,15-16,26H2,1H3.
What are the key properties of N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide?
N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide has a molecular weight of 452.62 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 70859443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).