methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C21H30N4O6S2 — CID 45207994

IUPACmethyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOCC(C)NS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1cc(CC(C)C)[nH]n1)C2
InChIInChI=1S/C21H30N4O6S2/c1-12(2)8-14-9-16(23-22-14)19(26)25-7-6-15-17(10-25)32-21(18(15)20(27)31-5)33(28,29)24-13(3)11-30-4/h9,12-13,24H,6-8,10-11H2,1-5H3,(H,22,23)
InChIKeyCEYSILNGBUFKQD-UHFFFAOYSA-N
MW498.63 g/mol
LogP1.97
Rot. Bonds9

About methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 45207994) has the molecular formula C21H30N4O6S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID45207994
Molecular FormulaC21H30N4O6S2
Molecular Weight498.63 g/mol
Exact Mass498.16
IUPAC Namemethyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOCC(C)NS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1cc(CC(C)C)[nH]n1)C2
InChIInChI=1S/C21H30N4O6S2/c1-12(2)8-14-9-16(23-22-14)19(26)25-7-6-15-17(10-25)32-21(18(15)20(27)31-5)33(28,29)24-13(3)11-30-4/h9,12-13,24H,6-8,10-11H2,1-5H3,(H,22,23)
InChIKeyCEYSILNGBUFKQD-UHFFFAOYSA-N
XLogP1.97
TPSA130.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-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 methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 45207994) is methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is COCC(C)NS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1cc(CC(C)C)[nH]n1)C2.
What is the InChIKey of methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is CEYSILNGBUFKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O6S2/c1-12(2)8-14-9-16(23-22-14)19(26)25-7-6-15-17(10-25)32-21(18(15)20(27)31-5)33(28,29)24-13(3)11-30-4/h9,12-13,24H,6-8,10-11H2,1-5H3,(H,22,23).
What are the key properties of methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 498.63 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxypropan-2-ylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 45207994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).