methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C22H28N2O5S2 — CID 42406101

IUPACmethyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)NCCc2ccccc2)sc2c1CCN(C1CCOCC1)C2
InChIInChI=1S/C22H28N2O5S2/c1-28-21(25)20-18-8-12-24(17-9-13-29-14-10-17)15-19(18)30-22(20)31(26,27)23-11-7-16-5-3-2-4-6-16/h2-6,17,23H,7-15H2,1H3
InChIKeyMJAZZYNBXLLDKZ-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.59
Rot. Bonds7

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

methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 42406101) has the molecular formula C22H28N2O5S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID42406101
Molecular FormulaC22H28N2O5S2
Molecular Weight464.61 g/mol
Exact Mass464.14
IUPAC Namemethyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)NCCc2ccccc2)sc2c1CCN(C1CCOCC1)C2
InChIInChI=1S/C22H28N2O5S2/c1-28-21(25)20-18-8-12-24(17-9-13-29-14-10-17)15-19(18)30-22(20)31(26,27)23-11-7-16-5-3-2-4-6-16/h2-6,17,23H,7-15H2,1H3
InChIKeyMJAZZYNBXLLDKZ-UHFFFAOYSA-N
XLogP2.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-(2-phenylethylsulfamoyl)-6-(pyrazine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42499146
methyl 2-[2-(3-fluorophenyl)ethylsulfamoyl]-6-(2-methylsulfanylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42238584
methyl 6-(2-cyclopropylacetyl)-2-[2-(2-fluorophenyl)ethylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42500783
methyl 2-(ethylsulfamoyl)-6-(2-methoxycarbonylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26356744
methyl 6-benzoyl-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42471182
methyl 6-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45199759
methyl 2-(2-methoxyethylsulfamoyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26401168
methyl 2-(ethylsulfamoyl)-6-[(3-phenylpyrazolidin-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 74501024
methyl 6-benzyl-2-[cyclopropylmethyl(propyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 29088635
methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 126467516
methyl 2-(cyclopentylsulfamoyl)-6-[(3,4-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 29219222
methyl 6-(cyclopentene-1-carbonyl)-2-(phenylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42483920

Frequently Asked Questions

What is the IUPAC name of methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 42406101) is methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(S(=O)(=O)NCCc2ccccc2)sc2c1CCN(C1CCOCC1)C2.
What is the InChIKey of methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is MJAZZYNBXLLDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S2/c1-28-21(25)20-18-8-12-24(17-9-13-29-14-10-17)15-19(18)30-22(20)31(26,27)23-11-7-16-5-3-2-4-6-16/h2-6,17,23H,7-15H2,1H3.
What are the key properties of methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 464.61 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(oxan-4-yl)-2-(2-phenylethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 42406101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).