2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate

C23H25N3O5S — CID 59426351

IUPAC2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate
SMILESCCn1c(-c2ccc(N(CCOC(C)=O)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H25N3O5S/c1-5-25-22-14-19(30-3)10-11-20(22)21(15-24)23(25)17-6-8-18(9-7-17)26(32(4,28)29)12-13-31-16(2)27/h6-11,14H,5,12-13H2,1-4H3
InChIKeyACMVIPOOTUUHOZ-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.54
Rot. Bonds8

About 2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate

2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate (PubChem CID 59426351) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate.

Molecular Properties

Compound Name2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate
PubChem CID59426351
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate
SMILESCCn1c(-c2ccc(N(CCOC(C)=O)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H25N3O5S/c1-5-25-22-14-19(30-3)10-11-20(22)21(15-24)23(25)17-6-8-18(9-7-17)26(32(4,28)29)12-13-31-16(2)27/h6-11,14H,5,12-13H2,1-4H3
InChIKeyACMVIPOOTUUHOZ-UHFFFAOYSA-N
XLogP3.54
TPSA101.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate with MolForge

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Related Compounds

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 143184513
N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide
CID 58693961
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea
CID 59425419
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile
CID 59425879
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide
CID 25051496
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide
CID 58694320
1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 58694271
1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
CID 70859124

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate?
The IUPAC name of 2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate (CID 59426351) is 2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate.
What is the SMILES notation for 2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate?
The canonical SMILES for 2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate is CCn1c(-c2ccc(N(CCOC(C)=O)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate?
The InChIKey is ACMVIPOOTUUHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-5-25-22-14-19(30-3)10-11-20(22)21(15-24)23(25)17-6-8-18(9-7-17)26(32(4,28)29)12-13-31-16(2)27/h6-11,14H,5,12-13H2,1-4H3.
What are the key properties of 2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate?
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate has a molecular weight of 455.54 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate is sourced from PubChem (CID 59426351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).