ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate

C16H16Cl2N4O6S2 — CID 55642526

IUPACethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N4O6S2/c1-2-28-16(24)13-15(29-21-20-13)19-14(23)9-7-12(11(18)8-10(9)17)30(25,26)22-3-5-27-6-4-22/h7-8H,2-6H2,1H3,(H,19,23)
InChIKeyJVAOLJBTHPJWQA-UHFFFAOYSA-N
MW495.37 g/mol
LogP2.29
Rot. Bonds6

About ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate

ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate (PubChem CID 55642526) has the molecular formula C16H16Cl2N4O6S2 and a molecular weight of 495.37 g/mol. Its IUPAC name is ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate
PubChem CID55642526
Molecular FormulaC16H16Cl2N4O6S2
Molecular Weight495.37 g/mol
Exact Mass493.99
IUPAC Nameethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N4O6S2/c1-2-28-16(24)13-15(29-21-20-13)19-14(23)9-7-12(11(18)8-10(9)17)30(25,26)22-3-5-27-6-4-22/h7-8H,2-6H2,1H3,(H,19,23)
InChIKeyJVAOLJBTHPJWQA-UHFFFAOYSA-N
XLogP2.29
TPSA127.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate with MolForge

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Related Compounds

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
ethyl 5-[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate
CID 55671146
ethyl 5-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]thiadiazole-4-carboxylate
CID 55642788
2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518178
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4692168
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
ethyl 5-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]thiadiazole-4-carboxylate
CID 55642731
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16596185
2,4-dichloro-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 75394614
[2-oxo-2-(propan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527052
[2-oxo-2-(pentan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4566884

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate (CID 55642526) is ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate?
The InChIKey is JVAOLJBTHPJWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O6S2/c1-2-28-16(24)13-15(29-21-20-13)19-14(23)9-7-12(11(18)8-10(9)17)30(25,26)22-3-5-27-6-4-22/h7-8H,2-6H2,1H3,(H,19,23).
What are the key properties of ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate?
ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate has a molecular weight of 495.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate is sourced from PubChem (CID 55642526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).