methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate

C17H16N2O5S — CID 1398064

IUPACmethyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cccs1
InChIInChI=1S/C17H16N2O5S/c1-22-11-7-9-10(8-12(11)23-2)18-15(17(21)24-3)14(9)19-16(20)13-5-4-6-25-13/h4-8,18H,1-3H3,(H,19,20)
InChIKeyTXRWGUADSMLVQM-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.29
Rot. Bonds5

About methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate

methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate (PubChem CID 1398064) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate
PubChem CID1398064
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Namemethyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cccs1
InChIInChI=1S/C17H16N2O5S/c1-22-11-7-9-10(8-12(11)23-2)18-15(17(21)24-3)14(9)19-16(20)13-5-4-6-25-13/h4-8,18H,1-3H3,(H,19,20)
InChIKeyTXRWGUADSMLVQM-UHFFFAOYSA-N
XLogP3.29
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate?
The IUPAC name of methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate (CID 1398064) is methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cccs1.
What is the InChIKey of methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate?
The InChIKey is TXRWGUADSMLVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-22-11-7-9-10(8-12(11)23-2)18-15(17(21)24-3)14(9)19-16(20)13-5-4-6-25-13/h4-8,18H,1-3H3,(H,19,20).
What are the key properties of methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate?
methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate has a molecular weight of 360.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dimethoxy-3-(thiophene-2-carbonylamino)-1H-indole-2-carboxylate is sourced from PubChem (CID 1398064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).