N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide

C15H20N4O3S — CID 51094143

IUPACN-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O3S/c1-3-16-15(20)12-18(4-2)23(21,22)14-10-17-19(11-14)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H,16,20)
InChIKeyXHXHFVZYMIQZBW-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.02
Rot. Bonds7

About N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide

N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide (PubChem CID 51094143) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide
PubChem CID51094143
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O3S/c1-3-16-15(20)12-18(4-2)23(21,22)14-10-17-19(11-14)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H,16,20)
InChIKeyXHXHFVZYMIQZBW-UHFFFAOYSA-N
XLogP1.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17483208
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60732233
2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114463
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465
1-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 26249383
methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate
CID 94811742
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 64609125
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 55702442
N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide
CID 71854645
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 24678382
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114473

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide (CID 51094143) is N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide is CCNC(=O)CN(CC)S(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide?
The InChIKey is XHXHFVZYMIQZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-3-16-15(20)12-18(4-2)23(21,22)14-10-17-19(11-14)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H,16,20).
What are the key properties of N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide?
N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide is sourced from PubChem (CID 51094143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).