N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide

C24H22N4O4S2 — CID 27681392

IUPACN,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C24H22N4O4S2/c1-16-9-11-17(12-10-16)34(31,32)28(2)15-23(29)26-27-24(30)19-14-21(22-8-5-13-33-22)25-20-7-4-3-6-18(19)20/h3-14H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyZEDGIVDPRCGXLD-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.35
Rot. Bonds6

About N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide

N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide (PubChem CID 27681392) has the molecular formula C24H22N4O4S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
PubChem CID27681392
Molecular FormulaC24H22N4O4S2
Molecular Weight494.60 g/mol
Exact Mass494.11
IUPAC NameN,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C24H22N4O4S2/c1-16-9-11-17(12-10-16)34(31,32)28(2)15-23(29)26-27-24(30)19-14-21(22-8-5-13-33-22)25-20-7-4-3-6-18(19)20/h3-14H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyZEDGIVDPRCGXLD-UHFFFAOYSA-N
XLogP3.35
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 35699410
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
N,4-dimethyl-N-[[4-[[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]carbamoyl]phenyl]methyl]benzenesulfonamide
CID 2432161
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
N,4-dimethyl-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 26763622
N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 43070381
N,4-dimethyl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 26854587
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4989292

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide (CID 27681392) is N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1.
What is the InChIKey of N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
The InChIKey is ZEDGIVDPRCGXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S2/c1-16-9-11-17(12-10-16)34(31,32)28(2)15-23(29)26-27-24(30)19-14-21(22-8-5-13-33-22)25-20-7-4-3-6-18(19)20/h3-14H,15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide?
N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide has a molecular weight of 494.60 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 27681392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).