N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide

C16H21FN4O3S — CID 71854645

IUPACN-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C16H21FN4O3S/c1-4-18-16(22)11-20(5-2)25(23,24)15-10-19-21(12(15)3)14-8-6-13(17)7-9-14/h6-10H,4-5,11H2,1-3H3,(H,18,22)
InChIKeyHMIYUWQTHXFARR-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.47
Rot. Bonds7

About N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide

N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide (PubChem CID 71854645) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide
PubChem CID71854645
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC NameN-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C16H21FN4O3S/c1-4-18-16(22)11-20(5-2)25(23,24)15-10-19-21(12(15)3)14-8-6-13(17)7-9-14/h6-10H,4-5,11H2,1-3H3,(H,18,22)
InChIKeyHMIYUWQTHXFARR-UHFFFAOYSA-N
XLogP1.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 39633113
1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide
CID 97066461
N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide
CID 51094143
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114473
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
CID 142010489
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937663
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide
CID 1067288
2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114283
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide (CID 71854645) is N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide is CCNC(=O)CN(CC)S(=O)(=O)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide?
The InChIKey is HMIYUWQTHXFARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-4-18-16(22)11-20(5-2)25(23,24)15-10-19-21(12(15)3)14-8-6-13(17)7-9-14/h6-10H,4-5,11H2,1-3H3,(H,18,22).
What are the key properties of N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide?
N-ethyl-2-[ethyl-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide has a molecular weight of 368.43 g/mol, XLogP of 1.47, 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-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]acetamide is sourced from PubChem (CID 71854645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).