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

C18H23N3O4S2 — CID 9474767

IUPACN,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C18H23N3O4S2/c1-14-8-10-16(11-9-14)27(24,25)21(2)13-18(23)20-19-17(22)7-3-5-15-6-4-12-26-15/h4,6,8-12H,3,5,7,13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIVLZTFXPOLXQPH-UHFFFAOYSA-N
MW409.53 g/mol
LogP1.85
Rot. Bonds8

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

N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide (PubChem CID 9474767) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide
PubChem CID9474767
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC NameN,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C18H23N3O4S2/c1-14-8-10-16(11-9-14)27(24,25)21(2)13-18(23)20-19-17(22)7-3-5-15-6-4-12-26-15/h4,6,8-12H,3,5,7,13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIVLZTFXPOLXQPH-UHFFFAOYSA-N
XLogP1.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.85
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-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide
CID 110415330
N,4-dimethyl-N-[2-[2-[4-(2-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 55531915
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 51864935
N,4-dimethyl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 26854587
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 9474553
N-[2-[2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 4790820
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26854580
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 27681392
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 112765398

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide (CID 9474767) is N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCc2cccs2)cc1.
What is the InChIKey of N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide?
The InChIKey is IVLZTFXPOLXQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-14-8-10-16(11-9-14)27(24,25)21(2)13-18(23)20-19-17(22)7-3-5-15-6-4-12-26-15/h4,6,8-12H,3,5,7,13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide?
N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide has a molecular weight of 409.53 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 9474767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).