ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate

C24H27N3O5S2 — CID 2334051

IUPACethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1C
InChIInChI=1S/C24H27N3O5S2/c1-7-32-23(29)20-17(6)25-24(33-20)26-22(28)18-10-8-9-11-19(18)27-34(30,31)21-15(4)13(2)12-14(3)16(21)5/h8-12,27H,7H2,1-6H3,(H,25,26,28)
InChIKeyJETQSTYTBRMTPQ-UHFFFAOYSA-N
MW501.63 g/mol
LogP4.91
Rot. Bonds7

About ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 2334051) has the molecular formula C24H27N3O5S2 and a molecular weight of 501.63 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID2334051
Molecular FormulaC24H27N3O5S2
Molecular Weight501.63 g/mol
Exact Mass501.14
IUPAC Nameethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1C
InChIInChI=1S/C24H27N3O5S2/c1-7-32-23(29)20-17(6)25-24(33-20)26-22(28)18-10-8-9-11-19(18)27-34(30,31)21-15(4)13(2)12-14(3)16(21)5/h8-12,27H,7H2,1-6H3,(H,25,26,28)
InChIKeyJETQSTYTBRMTPQ-UHFFFAOYSA-N
XLogP4.91
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate (CID 2334051) is ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is JETQSTYTBRMTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S2/c1-7-32-23(29)20-17(6)25-24(33-20)26-22(28)18-10-8-9-11-19(18)27-34(30,31)21-15(4)13(2)12-14(3)16(21)5/h8-12,27H,7H2,1-6H3,(H,25,26,28).
What are the key properties of ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 501.63 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2334051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).