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

C19H22FN3O4S2 — CID 24515135

IUPACN'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C19H22FN3O4S2/c1-3-16-12(2)11-17(28-16)19(25)22-21-18(24)15-5-4-10-23(15)29(26,27)14-8-6-13(20)7-9-14/h6-9,11,15H,3-5,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyNRDHEFDYCALVTA-UHFFFAOYSA-N
MW439.53 g/mol
LogP2.37
Rot. Bonds5

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

N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide (PubChem CID 24515135) 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-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
PubChem CID24515135
Molecular FormulaC19H22FN3O4S2
Molecular Weight439.53 g/mol
Exact Mass439.10
IUPAC NameN'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C19H22FN3O4S2/c1-3-16-12(2)11-17(28-16)19(25)22-21-18(24)15-5-4-10-23(15)29(26,27)14-8-6-13(20)7-9-14/h6-9,11,15H,3-5,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyNRDHEFDYCALVTA-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-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
CID 24643981
(3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 9158057
N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide
CID 24642957
(2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865512
(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide
CID 57118359
(2S)-1-(4-fluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 41130374
(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
CID 51935537
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 30805011
(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-nitrophenyl)pyrrolidine-2-carbohydrazide
CID 26720866
1-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 49399124
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 18150594
N-[2-(4-butoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 5295983

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
The IUPAC name of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide (CID 24515135) is N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
The canonical SMILES for N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1C.
What is the InChIKey of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
The InChIKey is NRDHEFDYCALVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S2/c1-3-16-12(2)11-17(28-16)19(25)22-21-18(24)15-5-4-10-23(15)29(26,27)14-8-6-13(20)7-9-14/h6-9,11,15H,3-5,10H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide?
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-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-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 24515135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).