methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate

C16H17N3O5S2 — CID 24568561

IUPACmethyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C16H17N3O5S2/c1-24-16(21)15-12(5-7-25-15)18-14(20)9-19-6-4-10-8-11(26(17,22)23)2-3-13(10)19/h2-3,5,7-8H,4,6,9H2,1H3,(H,18,20)(H2,17,22,23)
InChIKeyVKXHROYHOFXODW-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.18
Rot. Bonds5

About methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate (PubChem CID 24568561) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate
PubChem CID24568561
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC Namemethyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C16H17N3O5S2/c1-24-16(21)15-12(5-7-25-15)18-14(20)9-19-6-4-10-8-11(26(17,22)23)2-3-13(10)19/h2-3,5,7-8H,4,6,9H2,1H3,(H,18,20)(H2,17,22,23)
InChIKeyVKXHROYHOFXODW-UHFFFAOYSA-N
XLogP1.18
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate (CID 24568561) is methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is VKXHROYHOFXODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c1-24-16(21)15-12(5-7-25-15)18-14(20)9-19-6-4-10-8-11(26(17,22)23)2-3-13(10)19/h2-3,5,7-8H,4,6,9H2,1H3,(H,18,20)(H2,17,22,23).
What are the key properties of methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 24568561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).