ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate

C30H35N3O6S2 — CID 25050172

IUPACethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate
SMILESCCCc1nc(C)cc(OCc2ccc(-c3cc(C)sc3S(=O)(=O)Nc3noc(CC)c3C)cc2)c1C(=O)OCC
InChIInChI=1S/C30H35N3O6S2/c1-7-10-24-27(29(34)37-9-3)26(15-18(4)31-24)38-17-21-11-13-22(14-12-21)23-16-19(5)40-30(23)41(35,36)33-28-20(6)25(8-2)39-32-28/h11-16H,7-10,17H2,1-6H3,(H,32,33)
InChIKeyODSXSDVYGNORAO-UHFFFAOYSA-N
MW597.76 g/mol
LogP6.79
Rot. Bonds12

About ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate

ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate (PubChem CID 25050172) has the molecular formula C30H35N3O6S2 and a molecular weight of 597.76 g/mol. Its IUPAC name is ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate
PubChem CID25050172
Molecular FormulaC30H35N3O6S2
Molecular Weight597.76 g/mol
Exact Mass597.20
IUPAC Nameethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate
SMILESCCCc1nc(C)cc(OCc2ccc(-c3cc(C)sc3S(=O)(=O)Nc3noc(CC)c3C)cc2)c1C(=O)OCC
InChIInChI=1S/C30H35N3O6S2/c1-7-10-24-27(29(34)37-9-3)26(15-18(4)31-24)38-17-21-11-13-22(14-12-21)23-16-19(5)40-30(23)41(35,36)33-28-20(6)25(8-2)39-32-28/h11-16H,7-10,17H2,1-6H3,(H,32,33)
InChIKeyODSXSDVYGNORAO-UHFFFAOYSA-N
XLogP6.79
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate (CID 25050172) is ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate is CCCc1nc(C)cc(OCc2ccc(-c3cc(C)sc3S(=O)(=O)Nc3noc(CC)c3C)cc2)c1C(=O)OCC.
What is the InChIKey of ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate?
The InChIKey is ODSXSDVYGNORAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O6S2/c1-7-10-24-27(29(34)37-9-3)26(15-18(4)31-24)38-17-21-11-13-22(14-12-21)23-16-19(5)40-30(23)41(35,36)33-28-20(6)25(8-2)39-32-28/h11-16H,7-10,17H2,1-6H3,(H,32,33).
What are the key properties of ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate?
ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate has a molecular weight of 597.76 g/mol, XLogP of 6.79, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate is sourced from PubChem (CID 25050172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).