N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

C19H24N4O7S2 — CID 24636720

IUPACN-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N4O7S2/c1-14-4-8-17(9-5-14)32(28,29)23(2)13-19(25)22-21-18(24)12-20-31(26,27)16-10-6-15(30-3)7-11-16/h4-11,20H,12-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyUWSKQKSEXURVTA-UHFFFAOYSA-N
MW484.56 g/mol
LogP-0.25
Rot. Bonds9

About N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 24636720) has the molecular formula C19H24N4O7S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
PubChem CID24636720
Molecular FormulaC19H24N4O7S2
Molecular Weight484.56 g/mol
Exact Mass484.11
IUPAC NameN-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N4O7S2/c1-14-4-8-17(9-5-14)32(28,29)23(2)13-19(25)22-21-18(24)12-20-31(26,27)16-10-6-15(30-3)7-11-16/h4-11,20H,12-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyUWSKQKSEXURVTA-UHFFFAOYSA-N
XLogP-0.25
TPSA150.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 125059760
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28955234
N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
N-(2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1208722
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24640543
N,4-dimethyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 7978889
5-bromo-N-[2-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24636708
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (CID 24636720) is N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is UWSKQKSEXURVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O7S2/c1-14-4-8-17(9-5-14)32(28,29)23(2)13-19(25)22-21-18(24)12-20-31(26,27)16-10-6-15(30-3)7-11-16/h4-11,20H,12-13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 484.56 g/mol, XLogP of -0.25, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 24636720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).