N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide

C24H33N3O6S — CID 34558984

IUPACN-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)ccc1OCCC(C)C
InChIInChI=1S/C24H33N3O6S/c1-16(2)11-13-33-21-9-7-19(15-22(21)32-5)24(29)27-26-23(28)10-12-25-34(30,31)20-8-6-17(3)18(4)14-20/h6-9,14-16,25H,10-13H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyHPQYCYSKYROGDJ-UHFFFAOYSA-N
MW491.61 g/mol
LogP2.87
Rot. Bonds11

About N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide

N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 34558984) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
PubChem CID34558984
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC NameN-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)ccc1OCCC(C)C
InChIInChI=1S/C24H33N3O6S/c1-16(2)11-13-33-21-9-7-19(15-22(21)32-5)24(29)27-26-23(28)10-12-25-34(30,31)20-8-6-17(3)18(4)14-20/h6-9,14-16,25H,10-13H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyHPQYCYSKYROGDJ-UHFFFAOYSA-N
XLogP2.87
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.87
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

N-[3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 2090650
3-methoxy-4-(3-methylbutoxy)-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 24553723
N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 46547389
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-methylthiophene-2-carbohydrazide
CID 30882214
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823546
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 35694034
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
CID 24624494
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 26952120
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 27567260

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide (CID 34558984) is N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide is COc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)ccc1OCCC(C)C.
What is the InChIKey of N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is HPQYCYSKYROGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-16(2)11-13-33-21-9-7-19(15-22(21)32-5)24(29)27-26-23(28)10-12-25-34(30,31)20-8-6-17(3)18(4)14-20/h6-9,14-16,25H,10-13H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 491.61 g/mol, XLogP of 2.87, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 34558984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).