N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide

C19H19N3O2S — CID 50745021

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)cc(C(=O)Nc1sc(C)c(C)c1C#N)n2C
InChIInChI=1S/C19H19N3O2S/c1-5-24-14-6-7-16-13(8-14)9-17(22(16)4)18(23)21-19-15(10-20)11(2)12(3)25-19/h6-9H,5H2,1-4H3,(H,21,23)
InChIKeyFGEWDXIEPKDSDS-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.38
Rot. Bonds4

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide (PubChem CID 50745021) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide
PubChem CID50745021
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)cc(C(=O)Nc1sc(C)c(C)c1C#N)n2C
InChIInChI=1S/C19H19N3O2S/c1-5-24-14-6-7-16-13(8-14)9-17(22(16)4)18(23)21-19-15(10-20)11(2)12(3)25-19/h6-9H,5H2,1-4H3,(H,21,23)
InChIKeyFGEWDXIEPKDSDS-UHFFFAOYSA-N
XLogP4.38
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide (CID 50745021) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide is CCOc1ccc2c(c1)cc(C(=O)Nc1sc(C)c(C)c1C#N)n2C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide?
The InChIKey is FGEWDXIEPKDSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-5-24-14-6-7-16-13(8-14)9-17(22(16)4)18(23)21-19-15(10-20)11(2)12(3)25-19/h6-9H,5H2,1-4H3,(H,21,23).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-ethoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 50745021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).