N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide

C21H23N3O3S — CID 58694097

IUPACN-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1-c1c(C#N)c2ccc(OC)cc2n1CC
InChIInChI=1S/C21H23N3O3S/c1-4-12-28(25,26)23-19-9-7-6-8-17(19)21-18(14-22)16-11-10-15(27-3)13-20(16)24(21)5-2/h6-11,13,23H,4-5,12H2,1-3H3
InChIKeyQQTALVAPTKRYIW-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.36
Rot. Bonds7

About N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide

N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide (PubChem CID 58694097) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
PubChem CID58694097
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1-c1c(C#N)c2ccc(OC)cc2n1CC
InChIInChI=1S/C21H23N3O3S/c1-4-12-28(25,26)23-19-9-7-6-8-17(19)21-18(14-22)16-11-10-15(27-3)13-20(16)24(21)5-2/h6-11,13,23H,4-5,12H2,1-3H3
InChIKeyQQTALVAPTKRYIW-UHFFFAOYSA-N
XLogP4.36
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]ethanesulfonamide
CID 25051496
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
CID 58693906
2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile
CID 58694155
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide
CID 58693961
N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844494
N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide
CID 58694205
2-amino-1-ethyl-6-methoxyindole-3-carbonitrile
CID 90970598
1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 58694271
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide (CID 58694097) is N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccccc1-c1c(C#N)c2ccc(OC)cc2n1CC.
What is the InChIKey of N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide?
The InChIKey is QQTALVAPTKRYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-12-28(25,26)23-19-9-7-6-8-17(19)21-18(14-22)16-11-10-15(27-3)13-20(16)24(21)5-2/h6-11,13,23H,4-5,12H2,1-3H3.
What are the key properties of N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide?
N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 58694097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).