ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate

C23H23N3O6S2 — CID 4277078

IUPACethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H23N3O6S2/c1-2-32-22(28)20-19(16-6-4-3-5-7-16)24-23(33-20)25-21(27)17-8-10-18(11-9-17)34(29,30)26-12-14-31-15-13-26/h3-11H,2,12-15H2,1H3,(H,24,25,27)
InChIKeyUOFOMNYXNVWBRH-UHFFFAOYSA-N
MW501.59 g/mol
LogP3.26
Rot. Bonds7

About ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 4277078) has the molecular formula C23H23N3O6S2 and a molecular weight of 501.59 g/mol. Its IUPAC name is ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID4277078
Molecular FormulaC23H23N3O6S2
Molecular Weight501.59 g/mol
Exact Mass501.10
IUPAC Nameethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H23N3O6S2/c1-2-32-22(28)20-19(16-6-4-3-5-7-16)24-23(33-20)25-21(27)17-8-10-18(11-9-17)34(29,30)26-12-14-31-15-13-26/h3-11H,2,12-15H2,1H3,(H,24,25,27)
InChIKeyUOFOMNYXNVWBRH-UHFFFAOYSA-N
XLogP3.26
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 2388844
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CID 3242349
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CID 3872651
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CID 73333391
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate (CID 4277078) is ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is UOFOMNYXNVWBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6S2/c1-2-32-22(28)20-19(16-6-4-3-5-7-16)24-23(33-20)25-21(27)17-8-10-18(11-9-17)34(29,30)26-12-14-31-15-13-26/h3-11H,2,12-15H2,1H3,(H,24,25,27).
What are the key properties of ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 501.59 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 4277078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).