ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate

C19H21N3O5S — CID 67486812

IUPACethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(NS(=O)(=O)c3ncccc3C)c2n1COC
InChIInChI=1S/C19H21N3O5S/c1-4-27-19(23)16-11-14-8-5-9-15(17(14)22(16)12-26-3)21-28(24,25)18-13(2)7-6-10-20-18/h5-11,21H,4,12H2,1-3H3
InChIKeyMLRLLNNNGCNYTQ-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.93
Rot. Bonds7

About ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate

ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate (PubChem CID 67486812) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate
PubChem CID67486812
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Nameethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(NS(=O)(=O)c3ncccc3C)c2n1COC
InChIInChI=1S/C19H21N3O5S/c1-4-27-19(23)16-11-14-8-5-9-15(17(14)22(16)12-26-3)21-28(24,25)18-13(2)7-6-10-20-18/h5-11,21H,4,12H2,1-3H3
InChIKeyMLRLLNNNGCNYTQ-UHFFFAOYSA-N
XLogP2.93
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate?
The IUPAC name of ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate (CID 67486812) is ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate.
What is the SMILES notation for ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate?
The canonical SMILES for ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate is CCOC(=O)c1cc2cccc(NS(=O)(=O)c3ncccc3C)c2n1COC.
What is the InChIKey of ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate?
The InChIKey is MLRLLNNNGCNYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-4-27-19(23)16-11-14-8-5-9-15(17(14)22(16)12-26-3)21-28(24,25)18-13(2)7-6-10-20-18/h5-11,21H,4,12H2,1-3H3.
What are the key properties of ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate?
ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate has a molecular weight of 403.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate is sourced from PubChem (CID 67486812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).