[4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea

C17H27N5O5S — CID 55350391

IUPAC[4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(CC(C)C)NC(N)=O)cc1
InChIInChI=1S/C17H27N5O5S/c1-11(2)9-14(19-17(18)25)16(24)21-20-15(23)10-22(4)28(26,27)13-7-5-12(3)6-8-13/h5-8,11,14H,9-10H2,1-4H3,(H,20,23)(H,21,24)(H3,18,19,25)
InChIKeyKFNKLKPNZSMHCH-UHFFFAOYSA-N
MW413.50 g/mol
LogP-0.15
Rot. Bonds8

About [4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea

[4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea (PubChem CID 55350391) has the molecular formula C17H27N5O5S and a molecular weight of 413.50 g/mol. Its IUPAC name is [4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea
PubChem CID55350391
Molecular FormulaC17H27N5O5S
Molecular Weight413.50 g/mol
Exact Mass413.17
IUPAC Name[4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(CC(C)C)NC(N)=O)cc1
InChIInChI=1S/C17H27N5O5S/c1-11(2)9-14(19-17(18)25)16(24)21-20-15(23)10-22(4)28(26,27)13-7-5-12(3)6-8-13/h5-8,11,14H,9-10H2,1-4H3,(H,20,23)(H,21,24)(H3,18,19,25)
InChIKeyKFNKLKPNZSMHCH-UHFFFAOYSA-N
XLogP-0.15
TPSA150.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
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-[1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24636719
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
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-oxo-2-[2-[(2R)-2-phenylpentanoyl]hydrazinyl]ethyl]benzenesulfonamide
CID 40626111
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
CID 46820287
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
N,4-dimethyl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 26854587
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165585
5-bromo-N-[2-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24636708

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea?
The IUPAC name of [4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea (CID 55350391) is [4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea.
What is the SMILES notation for [4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea?
The canonical SMILES for [4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea is Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(CC(C)C)NC(N)=O)cc1.
What is the InChIKey of [4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea?
The InChIKey is KFNKLKPNZSMHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O5S/c1-11(2)9-14(19-17(18)25)16(24)21-20-15(23)10-22(4)28(26,27)13-7-5-12(3)6-8-13/h5-8,11,14H,9-10H2,1-4H3,(H,20,23)(H,21,24)(H3,18,19,25).
What are the key properties of [4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea?
[4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea has a molecular weight of 413.50 g/mol, XLogP of -0.15, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxopentan-2-yl]urea is sourced from PubChem (CID 55350391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).