N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide

C22H23N3O3S — CID 58694386

IUPACN-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C22H23N3O3S/c1-3-28-18-11-12-19-20(14-23)22(25(21(19)13-18)17-5-4-6-17)15-7-9-16(10-8-15)24-29(2,26)27/h7-13,17,24H,3-6H2,1-2H3
InChIKeyXXWWWMMVCUWFGR-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.68
Rot. Bonds6

About N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide

N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide (PubChem CID 58694386) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
PubChem CID58694386
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C22H23N3O3S/c1-3-28-18-11-12-19-20(14-23)22(25(21(19)13-18)17-5-4-6-17)15-7-9-16(10-8-15)24-29(2,26)27/h7-13,17,24H,3-6H2,1-2H3
InChIKeyXXWWWMMVCUWFGR-UHFFFAOYSA-N
XLogP4.68
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
CID 25051841
1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-ethoxyindole-3-carbonitrile
CID 59430508
N-[4-[3-cyano-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]propane-1-sulfonamide
CID 59426319
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea
CID 59425380
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(1-methoxypropan-2-yl)urea
CID 59425011
2-(5-amino-2-pyridinyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide
CID 161216037
[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamic acid
CID 59426144
methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425022
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 59425775
1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile
CID 59425953
N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide
CID 59430651
2-(4-aminophenyl)-1-cyclopentyl-6-ethoxyindole-3-carbonitrile;ethane;propyl formate
CID 143510951

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide (CID 58694386) is N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide is CCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C3CCC3)c2c1.
What is the InChIKey of N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide?
The InChIKey is XXWWWMMVCUWFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-28-18-11-12-19-20(14-23)22(25(21(19)13-18)17-5-4-6-17)15-7-9-16(10-8-15)24-29(2,26)27/h7-13,17,24H,3-6H2,1-2H3.
What are the key properties of N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide?
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 4.68, 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-ethoxyindol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 58694386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).