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

C27H30N4O2S — CID 59426243

IUPACN-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide
SMILESN#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(N3CCCCC3)ccc12
InChIInChI=1S/C27H30N4O2S/c28-18-25-24-14-11-22(30-15-2-1-3-16-30)17-26(24)31(21-5-4-6-21)27(25)19-7-9-20(10-8-19)29-34(32,33)23-12-13-23/h7-11,14,17,21,23,29H,1-6,12-13,15-16H2
InChIKeyAAMXREQYHIXSNI-UHFFFAOYSA-N
MW474.63 g/mol
LogP5.80
Rot. Bonds6

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

N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide (PubChem CID 59426243) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide
PubChem CID59426243
Molecular FormulaC27H30N4O2S
Molecular Weight474.63 g/mol
Exact Mass474.21
IUPAC NameN-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide
SMILESN#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(N3CCCCC3)ccc12
InChIInChI=1S/C27H30N4O2S/c28-18-25-24-14-11-22(30-15-2-1-3-16-30)17-26(24)31(21-5-4-6-21)27(25)19-7-9-20(10-8-19)29-34(32,33)23-12-13-23/h7-11,14,17,21,23,29H,1-6,12-13,15-16H2
InChIKeyAAMXREQYHIXSNI-UHFFFAOYSA-N
XLogP5.80
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
CID 25051841
1-cyclobutyl-2-[4-[[(1S)-1-cyclopropylethyl]sulfamoylamino]phenyl]-6-morpholin-4-ylindole-3-carbonitrile
CID 59424995
N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide
CID 70859443
[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate
CID 59425627
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
CID 58694386
N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 59424983
N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]ethanesulfonamide
CID 59425807
tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate
CID 59424943
[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamic acid;ethylcyclopropane
CID 143511119
1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea
CID 59425848
N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide
CID 59430651

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide (CID 59426243) is N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide is N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(N3CCCCC3)ccc12.
What is the InChIKey of N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide?
The InChIKey is AAMXREQYHIXSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2S/c28-18-25-24-14-11-22(30-15-2-1-3-16-30)17-26(24)31(21-5-4-6-21)27(25)19-7-9-20(10-8-19)29-34(32,33)23-12-13-23/h7-11,14,17,21,23,29H,1-6,12-13,15-16H2.
What are the key properties of N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide?
N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide has a molecular weight of 474.63 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 59426243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).