methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

C17H16N2O5S2 — CID 20950124

IUPACmethyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)s2)on1
InChIInChI=1S/C17H16N2O5S2/c1-19(11-12-6-4-3-5-7-12)26(21,22)16-9-8-15(25-16)14-10-13(18-24-14)17(20)23-2/h3-10H,11H2,1-2H3
InChIKeyDHSNTKGRMZIAAO-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.01
Rot. Bonds6

About methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 20950124) has the molecular formula C17H16N2O5S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID20950124
Molecular FormulaC17H16N2O5S2
Molecular Weight392.46 g/mol
Exact Mass392.05
IUPAC Namemethyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)s2)on1
InChIInChI=1S/C17H16N2O5S2/c1-19(11-12-6-4-3-5-7-12)26(21,22)16-9-8-15(25-16)14-10-13(18-24-14)17(20)23-2/h3-10H,11H2,1-2H3
InChIKeyDHSNTKGRMZIAAO-UHFFFAOYSA-N
XLogP3.01
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341371
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 35342187
ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 92708484
ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941084
methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
CID 96566230
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55353278
ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950118
N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 22518170
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772

Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (CID 20950124) is methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)s2)on1.
What is the InChIKey of methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is DHSNTKGRMZIAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S2/c1-19(11-12-6-4-3-5-7-12)26(21,22)16-9-8-15(25-16)14-10-13(18-24-14)17(20)23-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 20950124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).