methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate

C16H14N2O5S2 — CID 53079541

IUPACmethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3ccno3)sc2C)cc1
InChIInChI=1S/C16H14N2O5S2/c1-10-15(9-14(24-10)13-7-8-17-23-13)25(20,21)18-12-5-3-11(4-6-12)16(19)22-2/h3-9,18H,1-2H3
InChIKeyFSQKCUORVCKTPR-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.30
Rot. Bonds5

About methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate

methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate (PubChem CID 53079541) has the molecular formula C16H14N2O5S2 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate
PubChem CID53079541
Molecular FormulaC16H14N2O5S2
Molecular Weight378.43 g/mol
Exact Mass378.03
IUPAC Namemethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3ccno3)sc2C)cc1
InChIInChI=1S/C16H14N2O5S2/c1-10-15(9-14(24-10)13-7-8-17-23-13)25(20,21)18-12-5-3-11(4-6-12)16(19)22-2/h3-9,18H,1-2H3
InChIKeyFSQKCUORVCKTPR-UHFFFAOYSA-N
XLogP3.30
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079438
N-(2-fluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079461
ethyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylamino]benzoate
CID 46292533
N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079450
methyl 4-(1,2-oxazol-5-yl)benzoate
CID 44541917
2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
CID 53079495
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
N-(3,5-dimethylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079297
methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate
CID 60749436
N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079301
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-2-methylthiophene-3-sulfonamide
CID 50821175
methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341377

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate?
The IUPAC name of methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate (CID 53079541) is methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2cc(-c3ccno3)sc2C)cc1.
What is the InChIKey of methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate?
The InChIKey is FSQKCUORVCKTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S2/c1-10-15(9-14(24-10)13-7-8-17-23-13)25(20,21)18-12-5-3-11(4-6-12)16(19)22-2/h3-9,18H,1-2H3.
What are the key properties of methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate?
methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate has a molecular weight of 378.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate is sourced from PubChem (CID 53079541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).