N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide

C18H22FN3O4S2 — CID 24642957

IUPACN-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide
SMILESCCc1sc(C(=O)NNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C18H22FN3O4S2/c1-3-15-12(2)11-16(27-15)18(24)22-21-17(23)5-4-10-20-28(25,26)14-8-6-13(19)7-9-14/h6-9,11,20H,3-5,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLAYWGMPOMLHHOV-UHFFFAOYSA-N
MW427.52 g/mol
LogP2.28
Rot. Bonds8

About N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide

N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide (PubChem CID 24642957) has the molecular formula C18H22FN3O4S2 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide
PubChem CID24642957
Molecular FormulaC18H22FN3O4S2
Molecular Weight427.52 g/mol
Exact Mass427.10
IUPAC NameN-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide
SMILESCCc1sc(C(=O)NNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C18H22FN3O4S2/c1-3-15-12(2)11-16(27-15)18(24)22-21-17(23)5-4-10-20-28(25,26)14-8-6-13(19)7-9-14/h6-9,11,20H,3-5,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLAYWGMPOMLHHOV-UHFFFAOYSA-N
XLogP2.28
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide
CID 9220784
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
CID 24515135
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 9418358
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 9340595
3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 4793839
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418418
ethyl 4-[[4-(5-fluoro-2-methylanilino)-4-oxobutyl]sulfamoyl]benzoate
CID 9211647
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430
N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091418
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 24640292

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide (CID 24642957) is N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide is CCc1sc(C(=O)NNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1C.
What is the InChIKey of N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide?
The InChIKey is LAYWGMPOMLHHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S2/c1-3-15-12(2)11-16(27-15)18(24)22-21-17(23)5-4-10-20-28(25,26)14-8-6-13(19)7-9-14/h6-9,11,20H,3-5,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide?
N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide has a molecular weight of 427.52 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-4-oxobutyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 24642957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).