N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide

C18H22N4O6S — CID 24636719

IUPACN-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(C)NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N4O6S/c1-12-6-8-14(9-7-12)29(26,27)22(3)11-16(23)20-21-17(24)13(2)19-18(25)15-5-4-10-28-15/h4-10,13H,11H2,1-3H3,(H,19,25)(H,20,23)(H,21,24)
InChIKeyQHHQOEQIFAWXDH-UHFFFAOYSA-N
MW422.46 g/mol
LogP0.17
Rot. Bonds7

About N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 24636719) has the molecular formula C18H22N4O6S and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID24636719
Molecular FormulaC18H22N4O6S
Molecular Weight422.46 g/mol
Exact Mass422.13
IUPAC NameN-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(C)NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N4O6S/c1-12-6-8-14(9-7-12)29(26,27)22(3)11-16(23)20-21-17(24)13(2)19-18(25)15-5-4-10-28-15/h4-10,13H,11H2,1-3H3,(H,19,25)(H,20,23)(H,21,24)
InChIKeyQHHQOEQIFAWXDH-UHFFFAOYSA-N
XLogP0.17
TPSA137.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 9476624
[4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea
CID 55350391
N-[[4-[(furan-2-carbonylamino)carbamoyl]phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 25499935
N-[2-[2-[2-(3-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 4789278
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
CID 46820287
1-[3-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxobutan-2-yl]-3-phenylurea
CID 46643151
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
N,4-dimethyl-N-[2-oxo-2-[2-[(2R)-2-phenylpentanoyl]hydrazinyl]ethyl]benzenesulfonamide
CID 40626111
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26854580
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide (CID 24636719) is N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(C)NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is QHHQOEQIFAWXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6S/c1-12-6-8-14(9-7-12)29(26,27)22(3)11-16(23)20-21-17(24)13(2)19-18(25)15-5-4-10-28-15/h4-10,13H,11H2,1-3H3,(H,19,25)(H,20,23)(H,21,24).
What are the key properties of N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 24636719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).