methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate

C16H20N4O6S2 — CID 142637863

IUPACmethyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C(C)C)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C16H20N4O6S2/c1-8(2)10-7-27-12(14(21)26-5)13(10)28(23,24)20-16(22)19-15-17-9(3)6-11(18-15)25-4/h6-8H,1-5H3,(H2,17,18,19,20,22)
InChIKeyBSUOPAXOAYWGQD-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.28
Rot. Bonds6

About methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate

methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate (PubChem CID 142637863) has the molecular formula C16H20N4O6S2 and a molecular weight of 428.49 g/mol. Its IUPAC name is methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate
PubChem CID142637863
Molecular FormulaC16H20N4O6S2
Molecular Weight428.49 g/mol
Exact Mass428.08
IUPAC Namemethyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C(C)C)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C16H20N4O6S2/c1-8(2)10-7-27-12(14(21)26-5)13(10)28(23,24)20-16(22)19-15-17-9(3)6-11(18-15)25-4/h6-8H,1-5H3,(H2,17,18,19,20,22)
InChIKeyBSUOPAXOAYWGQD-UHFFFAOYSA-N
XLogP2.28
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 13364392
1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 13228698
1-[2-(dichloromethyl)phenyl]sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 13364616
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
ethyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 13364395
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-[2-(1,2-oxazol-5-yl)phenyl]sulfonylurea
CID 13489830
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(1-methyl-4-prop-1-enylpyrazol-5-yl)sulfonylurea
CID 54526151
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2-methylpyrazol-3-yl)sulfonylurea;methyl 5-chlorosulfonyl-1-methylpyrazole-4-carboxylate
CID 160651983
methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-6-sulfanylidenecyclohexa-1,3-diene-1-carboxylate
CID 88722375
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2H-thiochromen-8-ylsulfonyl)urea
CID 70449885
1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 19377379
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate (CID 142637863) is methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate is COC(=O)c1scc(C(C)C)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1.
What is the InChIKey of methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate?
The InChIKey is BSUOPAXOAYWGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O6S2/c1-8(2)10-7-27-12(14(21)26-5)13(10)28(23,24)20-16(22)19-15-17-9(3)6-11(18-15)25-4/h6-8H,1-5H3,(H2,17,18,19,20,22).
What are the key properties of methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate?
methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 142637863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).