ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate

C14H15ClN4O5S2 — CID 55642419

IUPACethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O5S2/c1-3-24-14(21)12-13(25-18-17-12)16-11(20)8-19(2)26(22,23)10-6-4-9(15)5-7-10/h4-7H,3,8H2,1-2H3,(H,16,20)
InChIKeyWIUKGWCVLQBEJK-UHFFFAOYSA-N
MW418.88 g/mol
LogP1.63
Rot. Bonds7

About ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate

ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate (PubChem CID 55642419) has the molecular formula C14H15ClN4O5S2 and a molecular weight of 418.88 g/mol. Its IUPAC name is ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate
PubChem CID55642419
Molecular FormulaC14H15ClN4O5S2
Molecular Weight418.88 g/mol
Exact Mass418.02
IUPAC Nameethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O5S2/c1-3-24-14(21)12-13(25-18-17-12)16-11(20)8-19(2)26(22,23)10-6-4-9(15)5-7-10/h4-7H,3,8H2,1-2H3,(H,16,20)
InChIKeyWIUKGWCVLQBEJK-UHFFFAOYSA-N
XLogP1.63
TPSA118.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate
CID 55671088
ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate
CID 55643015
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
ethyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2203001
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
N-(2,4-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373120
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
ethyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 2197414
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate (CID 55642419) is ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate?
The InChIKey is WIUKGWCVLQBEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O5S2/c1-3-24-14(21)12-13(25-18-17-12)16-11(20)8-19(2)26(22,23)10-6-4-9(15)5-7-10/h4-7H,3,8H2,1-2H3,(H,16,20).
What are the key properties of ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate?
ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate has a molecular weight of 418.88 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate is sourced from PubChem (CID 55642419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).