methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C19H26N2O5S2 — CID 26275257

IUPACmethyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCN(CC)S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)C1=CCCC1)C2
InChIInChI=1S/C19H26N2O5S2/c1-4-21(5-2)28(24,25)19-16(18(23)26-3)14-10-11-20(12-15(14)27-19)17(22)13-8-6-7-9-13/h8H,4-7,9-12H2,1-3H3
InChIKeyVEQLRXGUWGXIFQ-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.56
Rot. Bonds6

About methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 26275257) has the molecular formula C19H26N2O5S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID26275257
Molecular FormulaC19H26N2O5S2
Molecular Weight426.56 g/mol
Exact Mass426.13
IUPAC Namemethyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCN(CC)S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)C1=CCCC1)C2
InChIInChI=1S/C19H26N2O5S2/c1-4-21(5-2)28(24,25)19-16(18(23)26-3)14-10-11-20(12-15(14)27-19)17(22)13-8-6-7-9-13/h8H,4-7,9-12H2,1-3H3
InChIKeyVEQLRXGUWGXIFQ-UHFFFAOYSA-N
XLogP2.56
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-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-(phenylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42483920
methyl 6-(cyclopentene-1-carbonyl)-2-(2,3-dihydro-1H-inden-5-ylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42483971
methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45171161
methyl 2-(ethylsulfamoyl)-6-(2-methoxycarbonylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26356744
methyl 2-[2-(cyclohexen-1-yl)ethylsulfamoyl]-6-(1,2,5-thiadiazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42192285
methyl 2-[[(2R)-butan-2-yl]sulfamoyl]-6-(2-chloro-4-fluorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26403731
methyl 2-(azocan-1-ylsulfonyl)-6-(1,3-thiazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42162814
methyl 6-benzyl-2-[cyclopropylmethyl(propyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 29088635
methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4055304
methyl 6-benzoyl-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42471182
methyl 2-[(3,5-dimethylphenyl)sulfamoyl]-6-(2-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45182693
methyl 3-carbamoyl-2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018090

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 26275257) is methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCN(CC)S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)C1=CCCC1)C2.
What is the InChIKey of methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is VEQLRXGUWGXIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S2/c1-4-21(5-2)28(24,25)19-16(18(23)26-3)14-10-11-20(12-15(14)27-19)17(22)13-8-6-7-9-13/h8H,4-7,9-12H2,1-3H3.
What are the key properties of methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 426.56 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26275257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).