4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide

C25H29N3O6S — CID 42999187

IUPAC4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C25H29N3O6S/c1-17(2)15-22(28-35(31,32)21-12-9-18(3)10-13-21)24(29)26-27-25(30)23-14-11-20(34-23)16-33-19-7-5-4-6-8-19/h4-14,17,22,28H,15-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyILFSHKZIWKSHOC-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.32
Rot. Bonds10

About 4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide

4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide (PubChem CID 42999187) has the molecular formula C25H29N3O6S and a molecular weight of 499.59 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide
PubChem CID42999187
Molecular FormulaC25H29N3O6S
Molecular Weight499.59 g/mol
Exact Mass499.18
IUPAC Name4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C25H29N3O6S/c1-17(2)15-22(28-35(31,32)21-12-9-18(3)10-13-21)24(29)26-27-25(30)23-14-11-20(34-23)16-33-19-7-5-4-6-8-19/h4-14,17,22,28H,15-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyILFSHKZIWKSHOC-UHFFFAOYSA-N
XLogP3.32
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.32
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-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-phenoxypropyl)pentanamide
CID 55431403
5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 36706973
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
benzyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 12819533
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
benzyl 2-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]acetate
CID 55350464
(2S)-2-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]-3-phenylpropanoic acid
CID 67632611
N-[1-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 4790158
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 43002336
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide (CID 42999187) is 4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1.
What is the InChIKey of 4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide?
The InChIKey is ILFSHKZIWKSHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6S/c1-17(2)15-22(28-35(31,32)21-12-9-18(3)10-13-21)24(29)26-27-25(30)23-14-11-20(34-23)16-33-19-7-5-4-6-8-19/h4-14,17,22,28H,15-16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide?
4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide has a molecular weight of 499.59 g/mol, XLogP of 3.32, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-1-oxo-1-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 42999187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).