methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C23H28N2O5S2 — CID 42276718

IUPACmethyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)Nc2ccccc2C)sc2c1CCN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C23H28N2O5S2/c1-15-8-6-7-11-18(15)24-32(28,29)23-20(22(27)30-2)17-12-13-25(14-19(17)31-23)21(26)16-9-4-3-5-10-16/h6-8,11,16,24H,3-5,9-10,12-14H2,1-2H3
InChIKeyYORATHIYTKQHPB-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.11
Rot. Bonds5

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

methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 42276718) has the molecular formula C23H28N2O5S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID42276718
Molecular FormulaC23H28N2O5S2
Molecular Weight476.62 g/mol
Exact Mass476.14
IUPAC Namemethyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)Nc2ccccc2C)sc2c1CCN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C23H28N2O5S2/c1-15-8-6-7-11-18(15)24-32(28,29)23-20(22(27)30-2)17-12-13-25(14-19(17)31-23)21(26)16-9-4-3-5-10-16/h6-8,11,16,24H,3-5,9-10,12-14H2,1-2H3
InChIKeyYORATHIYTKQHPB-UHFFFAOYSA-N
XLogP4.11
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 6-[(1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42429001
methyl 2-[(2,3-dimethylphenyl)sulfamoyl]-6-(2-methylsulfanylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26358842
methyl 2-[(2,3-dimethylphenyl)sulfamoyl]-6-(2-methylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 25400267
methyl 2-(azocan-1-ylsulfonyl)-6-[(1R)-cyclohex-3-ene-1-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 25290490
methyl 6-(cyclopentene-1-carbonyl)-2-(phenylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42483920
methyl 2-(ethylsulfamoyl)-6-(2-methoxycarbonylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26356744
methyl 6-[2-(3-methylphenyl)acetyl]-2-[(3-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 25290803
methyl 2-[(4-chlorophenyl)sulfamoyl]-6-(3,3-dimethylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26351845
methyl 6-(2-cyclopropylacetyl)-2-[2-(2-fluorophenyl)ethylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42500783
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
1-(cyclohexanecarbonyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 113006064

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 42276718) is methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(S(=O)(=O)Nc2ccccc2C)sc2c1CCN(C(=O)C1CCCCC1)C2.
What is the InChIKey of methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is YORATHIYTKQHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S2/c1-15-8-6-7-11-18(15)24-32(28,29)23-20(22(27)30-2)17-12-13-25(14-19(17)31-23)21(26)16-9-4-3-5-10-16/h6-8,11,16,24H,3-5,9-10,12-14H2,1-2H3.
What are the key properties of methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 476.62 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 42276718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).