N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide

C19H22FN3O4S2 — CID 24643981

IUPACN'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)C2CCCN2S(=O)(=O)c2ccccc2F)cc1C
InChIInChI=1S/C19H22FN3O4S2/c1-3-15-12(2)11-16(28-15)19(25)22-21-18(24)14-8-6-10-23(14)29(26,27)17-9-5-4-7-13(17)20/h4-5,7,9,11,14H,3,6,8,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJCQITGKCQODEKX-UHFFFAOYSA-N
MW439.53 g/mol
LogP2.37
Rot. Bonds5

About N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide

N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide (PubChem CID 24643981) has the molecular formula C19H22FN3O4S2 and a molecular weight of 439.53 g/mol. Its IUPAC name is N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
PubChem CID24643981
Molecular FormulaC19H22FN3O4S2
Molecular Weight439.53 g/mol
Exact Mass439.10
IUPAC NameN'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)C2CCCN2S(=O)(=O)c2ccccc2F)cc1C
InChIInChI=1S/C19H22FN3O4S2/c1-3-15-12(2)11-16(28-15)19(25)22-21-18(24)14-8-6-10-23(14)29(26,27)17-9-5-4-7-13(17)20/h4-5,7,9,11,14H,3,6,8,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJCQITGKCQODEKX-UHFFFAOYSA-N
XLogP2.37
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
CID 24515135
N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 24643983
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 2119678
1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24654663
1-(2-fluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 24644596
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 11936672
(4-methylphenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 7569943
1-(2-fluorophenyl)sulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 24642299
N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24639477
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 51659097

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
The IUPAC name of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide (CID 24643981) is N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
The canonical SMILES for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)C2CCCN2S(=O)(=O)c2ccccc2F)cc1C.
What is the InChIKey of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
The InChIKey is JCQITGKCQODEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S2/c1-3-15-12(2)11-16(28-15)19(25)22-21-18(24)14-8-6-10-23(14)29(26,27)17-9-5-4-7-13(17)20/h4-5,7,9,11,14H,3,6,8,10H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide has a molecular weight of 439.53 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 24643981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).