methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C22H32N4O4S2 — CID 26274378

IUPACmethyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)NCC2CCCCC2)sc2c1CCN(Cc1cnn(C)c1C)C2
InChIInChI=1S/C22H32N4O4S2/c1-15-17(12-23-25(15)2)13-26-10-9-18-19(14-26)31-22(20(18)21(27)30-3)32(28,29)24-11-16-7-5-4-6-8-16/h12,16,24H,4-11,13-14H2,1-3H3
InChIKeySLTBCIRVBLMDBA-UHFFFAOYSA-N
MW480.66 g/mol
LogP2.99
Rot. Bonds7

About methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 26274378) has the molecular formula C22H32N4O4S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID26274378
Molecular FormulaC22H32N4O4S2
Molecular Weight480.66 g/mol
Exact Mass480.19
IUPAC Namemethyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)NCC2CCCCC2)sc2c1CCN(Cc1cnn(C)c1C)C2
InChIInChI=1S/C22H32N4O4S2/c1-15-17(12-23-25(15)2)13-26-10-9-18-19(14-26)31-22(20(18)21(27)30-3)32(28,29)24-11-16-7-5-4-6-8-16/h12,16,24H,4-11,13-14H2,1-3H3
InChIKeySLTBCIRVBLMDBA-UHFFFAOYSA-N
XLogP2.99
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45199759
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 2-(2-methoxyethylsulfamoyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26401168
methyl 2-(tert-butylsulfamoyl)-6-[(4-methoxy-2,5-dimethylphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 29254101
methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 31042711
methyl 2-(azepan-1-ylsulfonyl)-6-(2-methylbutyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45167671
methyl 6-(cyclohexanecarbonyl)-2-[(2-methylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42276718
methyl (2S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylate
CID 97066427
methyl 2-(2-phenylethylsulfamoyl)-6-(pyrazine-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42499146
methyl 6-(2-cyclopropylacetyl)-2-[2-(2-fluorophenyl)ethylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42500783
methyl 6-(9H-fluoren-2-ylmethyl)-2-(methylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26319185

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 26274378) is methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(S(=O)(=O)NCC2CCCCC2)sc2c1CCN(Cc1cnn(C)c1C)C2.
What is the InChIKey of methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is SLTBCIRVBLMDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S2/c1-15-17(12-23-25(15)2)13-26-10-9-18-19(14-26)31-22(20(18)21(27)30-3)32(28,29)24-11-16-7-5-4-6-8-16/h12,16,24H,4-11,13-14H2,1-3H3.
What are the key properties of methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 480.66 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26274378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).