methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate

C15H15N3O5S2 — CID 59506802

IUPACmethyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1csc(S(=O)(=O)NCc2c[nH]c3ncccc23)c1OC
InChIInChI=1S/C15H15N3O5S2/c1-22-12-11(14(19)23-2)8-24-15(12)25(20,21)18-7-9-6-17-13-10(9)4-3-5-16-13/h3-6,8,18H,7H2,1-2H3,(H,16,17)
InChIKeyVCBKNASRHZCSCA-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.90
Rot. Bonds6

About methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate

methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate (PubChem CID 59506802) has the molecular formula C15H15N3O5S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate
PubChem CID59506802
Molecular FormulaC15H15N3O5S2
Molecular Weight381.44 g/mol
Exact Mass381.05
IUPAC Namemethyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1csc(S(=O)(=O)NCc2c[nH]c3ncccc23)c1OC
InChIInChI=1S/C15H15N3O5S2/c1-22-12-11(14(19)23-2)8-24-15(12)25(20,21)18-7-9-6-17-13-10(9)4-3-5-16-13/h3-6,8,18H,7H2,1-2H3,(H,16,17)
InChIKeyVCBKNASRHZCSCA-UHFFFAOYSA-N
XLogP1.90
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-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 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate?
The IUPAC name of methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate (CID 59506802) is methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate is COC(=O)c1csc(S(=O)(=O)NCc2c[nH]c3ncccc23)c1OC.
What is the InChIKey of methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate?
The InChIKey is VCBKNASRHZCSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S2/c1-22-12-11(14(19)23-2)8-24-15(12)25(20,21)18-7-9-6-17-13-10(9)4-3-5-16-13/h3-6,8,18H,7H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate?
methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfamoyl)thiophene-3-carboxylate is sourced from PubChem (CID 59506802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).