methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate

C12H14N2O4S3 — CID 102748594

IUPACmethyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C12H14N2O4S3/c1-8-5-20-10(12(15)18-3)11(8)21(16,17)14(2)4-9-6-19-7-13-9/h5-7H,4H2,1-3H3
InChIKeyKZGGBPHEEOXXAD-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.12
Rot. Bonds5

About methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate

methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 102748594) has the molecular formula C12H14N2O4S3 and a molecular weight of 346.46 g/mol. Its IUPAC name is methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID102748594
Molecular FormulaC12H14N2O4S3
Molecular Weight346.46 g/mol
Exact Mass346.01
IUPAC Namemethyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C12H14N2O4S3/c1-8-5-20-10(12(15)18-3)11(8)21(16,17)14(2)4-9-6-19-7-13-9/h5-7H,4H2,1-3H3
InChIKeyKZGGBPHEEOXXAD-UHFFFAOYSA-N
XLogP2.12
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylate
CID 102748933
methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 114230128
methyl 3-[2,2-difluoroethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749343
methyl 3-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749275
methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102747971
methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 102749197
methyl 3-[2-methoxyethyl(propan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749163
methyl 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 103101607
methyl 3-[ethyl(2-methoxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748537
4-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 55012270
methyl 3-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748597
methyl 4-methyl-3-[propyl(prop-2-ynyl)sulfamoyl]thiophene-2-carboxylate
CID 102749123

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate (CID 102748594) is methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)N(C)Cc1cscn1.
What is the InChIKey of methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is KZGGBPHEEOXXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S3/c1-8-5-20-10(12(15)18-3)11(8)21(16,17)14(2)4-9-6-19-7-13-9/h5-7H,4H2,1-3H3.
What are the key properties of methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 346.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 102748594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).