ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate

C14H16N4O5S2 — CID 55671088

IUPACethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H16N4O5S2/c1-3-23-14(20)12-13(24-17-16-12)15-11(19)9-18(2)25(21,22)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,15,19)
InChIKeyJPNUXJVHOJKQAA-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.97
Rot. Bonds7

About ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate

ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate (PubChem CID 55671088) has the molecular formula C14H16N4O5S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate
PubChem CID55671088
Molecular FormulaC14H16N4O5S2
Molecular Weight384.44 g/mol
Exact Mass384.06
IUPAC Nameethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H16N4O5S2/c1-3-23-14(20)12-13(24-17-16-12)15-11(19)9-18(2)25(21,22)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,15,19)
InChIKeyJPNUXJVHOJKQAA-UHFFFAOYSA-N
XLogP0.97
TPSA118.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]thiadiazole-4-carboxylate
CID 55642419
ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate
CID 55643015
ethyl 5-[[2-(3-phenylpropylsulfonyl)acetyl]amino]thiadiazole-4-carboxylate
CID 55687711
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
ethyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2203001
ethyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 2197414
ethyl 5-[[3-(trifluoromethyl)benzoyl]amino]thiadiazole-4-carboxylate
CID 155256709
N-(2,6-dimethylphenyl)-2-[methyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 55908373
methyl 4,5-dimethyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylate
CID 55667070

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate (CID 55671088) is ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1NC(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate?
The InChIKey is JPNUXJVHOJKQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S2/c1-3-23-14(20)12-13(24-17-16-12)15-11(19)9-18(2)25(21,22)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,15,19).
What are the key properties of ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate?
ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]thiadiazole-4-carboxylate is sourced from PubChem (CID 55671088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).