methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C21H30N4O4S2 — CID 31042711

IUPACmethyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCCN(CC1CC1)S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(Cc1nc[nH]c1C)C2
InChIInChI=1S/C21H30N4O4S2/c1-4-8-25(10-15-5-6-15)31(27,28)21-19(20(26)29-3)16-7-9-24(12-18(16)30-21)11-17-14(2)22-13-23-17/h13,15H,4-12H2,1-3H3,(H,22,23)
InChIKeyWZNIERAICBOXPK-UHFFFAOYSA-N
MW466.63 g/mol
LogP2.94
Rot. Bonds9

About methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 31042711) has the molecular formula C21H30N4O4S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID31042711
Molecular FormulaC21H30N4O4S2
Molecular Weight466.63 g/mol
Exact Mass466.17
IUPAC Namemethyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCCN(CC1CC1)S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(Cc1nc[nH]c1C)C2
InChIInChI=1S/C21H30N4O4S2/c1-4-8-25(10-15-5-6-15)31(27,28)21-19(20(26)29-3)16-7-9-24(12-18(16)30-21)11-17-14(2)22-13-23-17/h13,15H,4-12H2,1-3H3,(H,22,23)
InChIKeyWZNIERAICBOXPK-UHFFFAOYSA-N
XLogP2.94
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-benzyl-2-[cyclopropylmethyl(propyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 29088635
methyl 2-(cyclohexylmethylsulfamoyl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26274378
methyl 2-(cyclopropylsulfamoyl)-6-[(2,3-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 126467516
methyl 6-(cyclopentene-1-carbonyl)-2-(diethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26275257
methyl 2-(cyclopentylsulfamoyl)-6-[(3,4-difluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 29219222
methyl 2-[methyl(2-methylpropyl)sulfamoyl]-6-[(3,4,5-trifluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 29153428
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 6-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45199759
methyl 2-(diethylsulfamoyl)-6-(2-phenoxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 45171161
methyl 2-(tert-butylsulfamoyl)-6-[(4-methylsulfanylphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26402622
methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098114
methyl 2-(2-methoxyethylsulfamoyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 26401168

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of 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) is methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCCN(CC1CC1)S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(Cc1nc[nH]c1C)C2.
What is the InChIKey of methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is WZNIERAICBOXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S2/c1-4-8-25(10-15-5-6-15)31(27,28)21-19(20(26)29-3)16-7-9-24(12-18(16)30-21)11-17-14(2)22-13-23-17/h13,15H,4-12H2,1-3H3,(H,22,23).
What are the key properties of methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 466.63 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropylmethyl(propyl)sulfamoyl]-6-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 31042711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).