N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide

C23H29N5O5S — CID 27681597

IUPACN,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide
SMILESCCCn1c(=O)n(CCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C23H29N5O5S/c1-4-14-27-19-7-5-6-8-20(19)28(23(27)31)15-13-21(29)24-25-22(30)16-26(3)34(32,33)18-11-9-17(2)10-12-18/h5-12H,4,13-16H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyWUUDBSKTHWCPMN-UHFFFAOYSA-N
MW487.58 g/mol
LogP1.38
Rot. Bonds9

About N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide

N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide (PubChem CID 27681597) has the molecular formula C23H29N5O5S and a molecular weight of 487.58 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide
PubChem CID27681597
Molecular FormulaC23H29N5O5S
Molecular Weight487.58 g/mol
Exact Mass487.19
IUPAC NameN,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide
SMILESCCCn1c(=O)n(CCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C23H29N5O5S/c1-4-14-27-19-7-5-6-8-20(19)28(23(27)31)15-13-21(29)24-25-22(30)16-26(3)34(32,33)18-11-9-17(2)10-12-18/h5-12H,4,13-16H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyWUUDBSKTHWCPMN-UHFFFAOYSA-N
XLogP1.38
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
N,4-dimethyl-N-[2-oxo-2-[2-[(2R)-2-phenylpentanoyl]hydrazinyl]ethyl]benzenesulfonamide
CID 40626111
N,4-dimethyl-N-[2-[2-[4-(2-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 55531915
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26854580
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide
CID 27019412
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638182
N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide
CID 9474767
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
N-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978885

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide (CID 27681597) is N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide is CCCn1c(=O)n(CCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide?
The InChIKey is WUUDBSKTHWCPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5S/c1-4-14-27-19-7-5-6-8-20(19)28(23(27)31)15-13-21(29)24-25-22(30)16-26(3)34(32,33)18-11-9-17(2)10-12-18/h5-12H,4,13-16H2,1-3H3,(H,24,29)(H,25,30).
What are the key properties of N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide?
N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide has a molecular weight of 487.58 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-oxo-2-[2-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 27681597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).