methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C19H20F2N2O4S2 — CID 126467516

IUPACmethyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(Cc1cccc(F)c1F)C2
InChIInChI=1S/C19H20F2N2O4S2/c1-27-18(24)16-13-7-8-23(9-11-3-2-4-14(20)17(11)21)10-15(13)28-19(16)29(25,26)22-12-5-6-12/h2-4,12,22H,5-10H2,1H3
InChIKeyJFDQHVNGGPYDPY-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.81
Rot. Bonds6

About methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 126467516) has the molecular formula C19H20F2N2O4S2 and a molecular weight of 442.51 g/mol. Its IUPAC name is methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID126467516
Molecular FormulaC19H20F2N2O4S2
Molecular Weight442.51 g/mol
Exact Mass442.08
IUPAC Namemethyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(Cc1cccc(F)c1F)C2
InChIInChI=1S/C19H20F2N2O4S2/c1-27-18(24)16-13-7-8-23(9-11-3-2-4-14(20)17(11)21)10-15(13)28-19(16)29(25,26)22-12-5-6-12/h2-4,12,22H,5-10H2,1H3
InChIKeyJFDQHVNGGPYDPY-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-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

Related Compounds

methyl 2-[2-(dimethylamino)ethylsulfamoyl]-6-(2-phenylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45488209
methyl 2-(4-methylpiperazin-1-yl)sulfonyl-6-(3-phenylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45488220
methyl 6-(3-phenylbutyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45489297
methyl 2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-6-(2-phenylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45489347
Methyl 2-[(cyclopropylamino)sulfonyl]-6-(2,4-difluorobenzyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 26349038
methyl 2-{[(4-fluorophenyl)amino]sulfonyl}-6-[(2E)-2-methyl-2-butenoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 42436773
methyl 2-(cyclopropylsulfamoyl)-6-[(2,6-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 56856500
2-[[(1S)-1-(3,5-difluorophenyl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 95209585
methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 126466163
methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 126466343
methyl 6-[(2-fluorophenyl)methyl]-2-(2-methylpropylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 126466822
Methyl 2-[(4-fluorophenyl)sulfonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 153525085

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 126467516) is methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(Cc1cccc(F)c1F)C2.
What is the InChIKey of methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is JFDQHVNGGPYDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4S2/c1-27-18(24)16-13-7-8-23(9-11-3-2-4-14(20)17(11)21)10-15(13)28-19(16)29(25,26)22-12-5-6-12/h2-4,12,22H,5-10H2,1H3.
What are the key properties of methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 442.51 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 126467516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).