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

C22H28N2O6S2 — CID 45171161

IUPACmethyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCN(CC)S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)C(C)Oc1ccccc1)C2
InChIInChI=1S/C22H28N2O6S2/c1-5-24(6-2)32(27,28)22-19(21(26)29-4)17-12-13-23(14-18(17)31-22)20(25)15(3)30-16-10-8-7-9-11-16/h7-11,15H,5-6,12-14H2,1-4H3
InChIKeyFSBYAEVOKUWCPH-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.92
Rot. Bonds8

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

methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 45171161) has the molecular formula C22H28N2O6S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID45171161
Molecular FormulaC22H28N2O6S2
Molecular Weight480.61 g/mol
Exact Mass480.14
IUPAC Namemethyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCN(CC)S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)C(C)Oc1ccccc1)C2
InChIInChI=1S/C22H28N2O6S2/c1-5-24(6-2)32(27,28)22-19(21(26)29-4)17-12-13-23(14-18(17)31-22)20(25)15(3)30-16-10-8-7-9-11-16/h7-11,15H,5-6,12-14H2,1-4H3
InChIKeyFSBYAEVOKUWCPH-UHFFFAOYSA-N
XLogP2.92
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26275257
methyl 6-benzyl-2-[cyclopropylmethyl(propyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 29088635
methyl 2-[(3,5-dimethylphenyl)sulfamoyl]-6-(2-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45182693
methyl 2-(ethylsulfamoyl)-6-(2-methoxycarbonylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26356744
methyl 2-[(2,3-dimethylphenyl)sulfamoyl]-6-(2-methylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 25400267
methyl 2-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-6-(4-phenylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42419336
ethyl N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527899
6-O-ethyl 3-O-methyl 2-(3-phenoxypropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 4188708
methyl 2-[[(2R)-butan-2-yl]sulfamoyl]-6-[2-(2,6-difluorophenyl)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42246368
methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4055304
methyl 6-(cyclopentene-1-carbonyl)-2-(phenylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42483920
methyl 6-benzoyl-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42471182

Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 45171161) is methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCN(CC)S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)C(C)Oc1ccccc1)C2.
What is the InChIKey of methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is FSBYAEVOKUWCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S2/c1-5-24(6-2)32(27,28)22-19(21(26)29-4)17-12-13-23(14-18(17)31-22)20(25)15(3)30-16-10-8-7-9-11-16/h7-11,15H,5-6,12-14H2,1-4H3.
What are the key properties of methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 480.61 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 45171161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).