(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate

C23H20N2O6S2 — CID 41425118

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H20N2O6S2/c1-15-5-8-17(9-6-15)25-33(27,28)21-12-16(7-10-19(21)29-2)23(26)31-14-18-13-30-22(24-18)20-4-3-11-32-20/h3-13,25H,14H2,1-2H3
InChIKeyHWJWNTIRDFNSKR-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.88
Rot. Bonds8

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 41425118) has the molecular formula C23H20N2O6S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
PubChem CID41425118
Molecular FormulaC23H20N2O6S2
Molecular Weight484.56 g/mol
Exact Mass484.08
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H20N2O6S2/c1-15-5-8-17(9-6-15)25-33(27,28)21-12-16(7-10-19(21)29-2)23(26)31-14-18-13-30-22(24-18)20-4-3-11-32-20/h3-13,25H,14H2,1-2H3
InChIKeyHWJWNTIRDFNSKR-UHFFFAOYSA-N
XLogP4.88
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate
CID 17420011
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(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681088
(3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
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(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 43004687
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CID 26054578
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 7175460
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-formylbenzoate
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(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46613291
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 55398336
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-ethylbenzotriazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate (CID 41425118) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate is COc1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is HWJWNTIRDFNSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6S2/c1-15-5-8-17(9-6-15)25-33(27,28)21-12-16(7-10-19(21)29-2)23(26)31-14-18-13-30-22(24-18)20-4-3-11-32-20/h3-13,25H,14H2,1-2H3.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 484.56 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 41425118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).