ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate

C18H19N3O5S — CID 70813803

IUPACethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(N(C)S(=O)(=O)c3ccccn3)cc(OC)cc12
InChIInChI=1S/C18H19N3O5S/c1-4-26-18(22)14-11-20-17-13(14)9-12(25-3)10-15(17)21(2)27(23,24)16-7-5-6-8-19-16/h5-11,20H,4H2,1-3H3
InChIKeyGWZSUJQSQFFSAA-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.57
Rot. Bonds6

About ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate

ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate (PubChem CID 70813803) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate
PubChem CID70813803
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Nameethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(N(C)S(=O)(=O)c3ccccn3)cc(OC)cc12
InChIInChI=1S/C18H19N3O5S/c1-4-26-18(22)14-11-20-17-13(14)9-12(25-3)10-15(17)21(2)27(23,24)16-7-5-6-8-19-16/h5-11,20H,4H2,1-3H3
InChIKeyGWZSUJQSQFFSAA-UHFFFAOYSA-N
XLogP2.57
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate?
The IUPAC name of ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate (CID 70813803) is ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate is CCOC(=O)c1c[nH]c2c(N(C)S(=O)(=O)c3ccccn3)cc(OC)cc12.
What is the InChIKey of ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate?
The InChIKey is GWZSUJQSQFFSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-4-26-18(22)14-11-20-17-13(14)9-12(25-3)10-15(17)21(2)27(23,24)16-7-5-6-8-19-16/h5-11,20H,4H2,1-3H3.
What are the key properties of ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate?
ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate is sourced from PubChem (CID 70813803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).