N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

C17H23N5O4S — CID 40704791

IUPACN-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@@H](C)n2ccnc2)cc1
InChIInChI=1S/C17H23N5O4S/c1-13-4-6-15(7-5-13)27(25,26)21(3)11-17(24)20-19-16(23)10-14(2)22-9-8-18-12-22/h4-9,12,14H,10-11H2,1-3H3,(H,19,23)(H,20,24)/t14-/m1/s1
InChIKeyMGNDRRFMYMKXTG-CQSZACIVSA-N
MW393.47 g/mol
LogP0.61
Rot. Bonds7

About N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 40704791) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
PubChem CID40704791
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC NameN-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@@H](C)n2ccnc2)cc1
InChIInChI=1S/C17H23N5O4S/c1-13-4-6-15(7-5-13)27(25,26)21(3)11-17(24)20-19-16(23)10-14(2)22-9-8-18-12-22/h4-9,12,14H,10-11H2,1-3H3,(H,19,23)(H,20,24)/t14-/m1/s1
InChIKeyMGNDRRFMYMKXTG-CQSZACIVSA-N
XLogP0.61
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide 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,4-dimethyl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 26854587
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N-[2-[2-(3,4-dimethylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978883
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
[4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea
CID 55350391
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 55963554
N-[2-[2-(2-hydroxy-5-methylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 27681289
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26854580
N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 24636720
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide
CID 55531022

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (CID 40704791) is N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@@H](C)n2ccnc2)cc1.
What is the InChIKey of N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is MGNDRRFMYMKXTG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-13-4-6-15(7-5-13)27(25,26)21(3)11-17(24)20-19-16(23)10-14(2)22-9-8-18-12-22/h4-9,12,14H,10-11H2,1-3H3,(H,19,23)(H,20,24)/t14-/m1/s1.
What are the key properties of N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3R)-3-imidazol-1-ylbutanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 40704791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).