2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate

C19H28N4O4S — CID 22204206

IUPAC2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NS(=O)(=O)c2cnn(CC)c2C)cc1
InChIInChI=1S/C19H28N4O4S/c1-5-22(6-2)12-13-27-19(24)16-8-10-17(11-9-16)21-28(25,26)18-14-20-23(7-3)15(18)4/h8-11,14,21H,5-7,12-13H2,1-4H3
InChIKeyIGLTWPKSIBBTIN-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.51
Rot. Bonds10

About 2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate

2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate (PubChem CID 22204206) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
PubChem CID22204206
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NS(=O)(=O)c2cnn(CC)c2C)cc1
InChIInChI=1S/C19H28N4O4S/c1-5-22(6-2)12-13-27-19(24)16-8-10-17(11-9-16)21-28(25,26)18-14-20-23(7-3)15(18)4/h8-11,14,21H,5-7,12-13H2,1-4H3
InChIKeyIGLTWPKSIBBTIN-UHFFFAOYSA-N
XLogP2.51
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(diethylamino)ethyl 4-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]benzoate
CID 22204210
ethyl 3-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 6465250
2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 22204194
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 6471033
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
2-(diethylamino)ethyl 4-[[3-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-3-oxopropanoyl]amino]benzoate
CID 26846
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493
N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22773468
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate
CID 110492639
butyl 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 22774769
1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide
CID 22202841

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate (CID 22204206) is 2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate is CCN(CC)CCOC(=O)c1ccc(NS(=O)(=O)c2cnn(CC)c2C)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate?
The InChIKey is IGLTWPKSIBBTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-5-22(6-2)12-13-27-19(24)16-8-10-17(11-9-16)21-28(25,26)18-14-20-23(7-3)15(18)4/h8-11,14,21H,5-7,12-13H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate?
2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate has a molecular weight of 408.52 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate is sourced from PubChem (CID 22204206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).