ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate

C16H20N4O5S — CID 113001785

IUPACethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C16H20N4O5S/c1-4-25-16(22)12-7-5-6-8-13(12)18-14(21)9-17-26(23,24)15-10(2)19-20-11(15)3/h5-8,17H,4,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyWIYXIWLFCPZIEH-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.12
Rot. Bonds7

About ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate

ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate (PubChem CID 113001785) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate
PubChem CID113001785
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC Nameethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C16H20N4O5S/c1-4-25-16(22)12-7-5-6-8-13(12)18-14(21)9-17-26(23,24)15-10(2)19-20-11(15)3/h5-8,17H,4,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyWIYXIWLFCPZIEH-UHFFFAOYSA-N
XLogP1.12
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
CID 113001765
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 112997690
N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 112996749
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999052
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]benzoate
CID 113147638
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 43215038
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993039
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 60662085
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
ethyl 2-(5-bromopentanoylamino)benzoate
CID 103601672

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate (CID 113001785) is ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate?
The InChIKey is WIYXIWLFCPZIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-4-25-16(22)12-7-5-6-8-13(12)18-14(21)9-17-26(23,24)15-10(2)19-20-11(15)3/h5-8,17H,4,9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate?
ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate has a molecular weight of 380.43 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate is sourced from PubChem (CID 113001785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).