methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate

C13H16N2O5S2 — CID 47027463

IUPACmethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(C)Cc1c(C)noc1C
InChIInChI=1S/C13H16N2O5S2/c1-8-10(9(2)20-14-8)7-15(3)22(17,18)11-5-6-21-12(11)13(16)19-4/h5-6H,7H2,1-4H3
InChIKeyAQJDQYJMFDYFNP-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.96
Rot. Bonds5

About methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate

methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 47027463) has the molecular formula C13H16N2O5S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate
PubChem CID47027463
Molecular FormulaC13H16N2O5S2
Molecular Weight344.41 g/mol
Exact Mass344.05
IUPAC Namemethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(C)Cc1c(C)noc1C
InChIInChI=1S/C13H16N2O5S2/c1-8-10(9(2)20-14-8)7-15(3)22(17,18)11-5-6-21-12(11)13(16)19-4/h5-6H,7H2,1-4H3
InChIKeyAQJDQYJMFDYFNP-UHFFFAOYSA-N
XLogP1.96
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 18148317
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
methyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 10615322
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 110870140
methyl 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylate
CID 18148503
methyl 3-[methyl(3-phenylpropyl)sulfamoyl]thiophene-2-carboxylate
CID 47064918
5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 61115628
methyl 3-[[(2R)-3,3-dimethylbutan-2-yl]-methylsulfamoyl]thiophene-2-carboxylate
CID 35394475
3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 55652909
methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate
CID 57388725
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 55938250
3-[[4-(chloromethyl)-3-methyl-1,2-oxazol-5-yl]-(methoxymethyl)sulfamoyl]thiophene-2-carbonyl chloride
CID 163714496

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate (CID 47027463) is methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N(C)Cc1c(C)noc1C.
What is the InChIKey of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is AQJDQYJMFDYFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S2/c1-8-10(9(2)20-14-8)7-15(3)22(17,18)11-5-6-21-12(11)13(16)19-4/h5-6H,7H2,1-4H3.
What are the key properties of methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 47027463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).