N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide

C29H30N4O2S — CID 143511421

IUPACN-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2C2CCC2)cc1
InChIInChI=1S/C29H30N4O2S/c1-3-20(2)19-36(34,35)32-23-13-10-21(11-14-23)29-26(18-30)25-15-12-22(27-9-4-5-16-31-27)17-28(25)33(29)24-7-6-8-24/h4-5,9-17,20,24,32H,3,6-8,19H2,1-2H3
InChIKeySIWQUCYIHOWTJQ-UHFFFAOYSA-N
MW498.65 g/mol
LogP6.75
Rot. Bonds8

About N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide

N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide (PubChem CID 143511421) has the molecular formula C29H30N4O2S and a molecular weight of 498.65 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide
PubChem CID143511421
Molecular FormulaC29H30N4O2S
Molecular Weight498.65 g/mol
Exact Mass498.21
IUPAC NameN-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2C2CCC2)cc1
InChIInChI=1S/C29H30N4O2S/c1-3-20(2)19-36(34,35)32-23-13-10-21(11-14-23)29-26(18-30)25-15-12-22(27-9-4-5-16-31-27)17-28(25)33(29)24-7-6-8-24/h4-5,9-17,20,24,32H,3,6-8,19H2,1-2H3
InChIKeySIWQUCYIHOWTJQ-UHFFFAOYSA-N
XLogP6.75
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide 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-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide
CID 59430651
2-[3-chloro-4-(methylamino)phenyl]-1-cyclobutyl-6-pyridin-2-ylindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] formate
CID 143511635
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
CID 58694386
N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfinamide
CID 143509872
N-[4-[3-cyano-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]propane-1-sulfonamide
CID 59426319
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
CID 25051841
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
1-[4-(3-cyano-1-cyclobutyl-6-pentylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 143509400
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate
CID 59430504
N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]cyclopropanesulfonamide
CID 59426243

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide?
The IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide (CID 143511421) is N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide?
The canonical SMILES for N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide is CCC(C)CS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2C2CCC2)cc1.
What is the InChIKey of N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide?
The InChIKey is SIWQUCYIHOWTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2S/c1-3-20(2)19-36(34,35)32-23-13-10-21(11-14-23)29-26(18-30)25-15-12-22(27-9-4-5-16-31-27)17-28(25)33(29)24-7-6-8-24/h4-5,9-17,20,24,32H,3,6-8,19H2,1-2H3.
What are the key properties of N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide?
N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide has a molecular weight of 498.65 g/mol, XLogP of 6.75, 8 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-pyridin-2-ylindol-2-yl)phenyl]-2-methylbutane-1-sulfonamide is sourced from PubChem (CID 143511421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).