1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile

C22H22FN3O2S — CID 143185415

IUPAC1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile
SMILESCCn1c(-c2ccc(N3CCCS3=O)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C22H22FN3O2S/c1-2-25-21-14-18(28-12-10-23)8-9-19(21)20(15-24)22(25)16-4-6-17(7-5-16)26-11-3-13-29(26)27/h4-9,14H,2-3,10-13H2,1H3
InChIKeyZPXPJHYPOJVRKR-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.42
Rot. Bonds6

About 1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile

1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile (PubChem CID 143185415) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile
PubChem CID143185415
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile
SMILESCCn1c(-c2ccc(N3CCCS3=O)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C22H22FN3O2S/c1-2-25-21-14-18(28-12-10-23)8-9-19(21)20(15-24)22(25)16-4-6-17(7-5-16)26-11-3-13-29(26)27/h4-9,14H,2-3,10-13H2,1H3
InChIKeyZPXPJHYPOJVRKR-UHFFFAOYSA-N
XLogP4.42
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-Piperidinopropoxy]phenyl]-1-(methanesulfonyl)indole
CID 9953505
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile?
The IUPAC name of 1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile (CID 143185415) is 1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile is CCn1c(-c2ccc(N3CCCS3=O)cc2)c(C#N)c2ccc(OCCF)cc21.
What is the InChIKey of 1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile?
The InChIKey is ZPXPJHYPOJVRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c1-2-25-21-14-18(28-12-10-23)8-9-19(21)20(15-24)22(25)16-4-6-17(7-5-16)26-11-3-13-29(26)27/h4-9,14H,2-3,10-13H2,1H3.
What are the key properties of 1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile?
1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile has a molecular weight of 411.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(2-fluoroethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 143185415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).