N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide

C21H19N3O2S — CID 143184735

IUPACN-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide
SMILESCCn1c(C#Cc2ccc(NS(=O)CC)cc2)c(C#N)c2ccc(O)cc21
InChIInChI=1S/C21H19N3O2S/c1-3-24-20(19(14-22)18-11-10-17(25)13-21(18)24)12-7-15-5-8-16(9-6-15)23-27(26)4-2/h5-6,8-11,13,23,25H,3-4H2,1-2H3
InChIKeyMQSKDBTUWTVWTI-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.73
Rot. Bonds4

About N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide

N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide (PubChem CID 143184735) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide.

Molecular Properties

Compound NameN-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide
PubChem CID143184735
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide
SMILESCCn1c(C#Cc2ccc(NS(=O)CC)cc2)c(C#N)c2ccc(O)cc21
InChIInChI=1S/C21H19N3O2S/c1-3-24-20(19(14-22)18-11-10-17(25)13-21(18)24)12-7-15-5-8-16(9-6-15)23-27(26)4-2/h5-6,8-11,13,23,25H,3-4H2,1-2H3
InChIKeyMQSKDBTUWTVWTI-UHFFFAOYSA-N
XLogP3.73
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 11625428
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide
CID 11682432
N-[4-[3-cyano-6-(difluoromethoxy)-1-isopropyl-indol-2-yl]phenyl]cyclopropanesulfonamide
CID 25051493
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]propane-1-sulfonamide
CID 25051674
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]cyclopropanesulfonamide
CID 25051675
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]propane-2-sulfonamide
CID 25051838
Ethanesulfonic acid [4-(3-cyano-1-ethyl-6-trifluoromethoxyindol-2-yl)phenyl]amide
CID 46946630
N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide
CID 58693902
N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide
CID 58694104
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide
CID 58694106
N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide
CID 58694370
N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide
CID 58694406

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide?
The IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide (CID 143184735) is N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide.
What is the SMILES notation for N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide?
The canonical SMILES for N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide is CCn1c(C#Cc2ccc(NS(=O)CC)cc2)c(C#N)c2ccc(O)cc21.
What is the InChIKey of N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide?
The InChIKey is MQSKDBTUWTVWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-3-24-20(19(14-22)18-11-10-17(25)13-21(18)24)12-7-15-5-8-16(9-6-15)23-27(26)4-2/h5-6,8-11,13,23,25H,3-4H2,1-2H3.
What are the key properties of N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide?
N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide has a molecular weight of 377.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]ethanesulfinamide is sourced from PubChem (CID 143184735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).