4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide

C20H25N3O4S — CID 18121131

IUPAC4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NN(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-16(24)17-11-13-19(14-12-17)28(26,27)22(2)15-7-10-20(25)21-23(3)18-8-5-4-6-9-18/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H,21,25)
InChIKeyARRLOJGICRPEJY-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.46
Rot. Bonds9

About 4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide

4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide (PubChem CID 18121131) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
PubChem CID18121131
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NN(C)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-16(24)17-11-13-19(14-12-17)28(26,27)22(2)15-7-10-20(25)21-23(3)18-8-5-4-6-9-18/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H,21,25)
InChIKeyARRLOJGICRPEJY-UHFFFAOYSA-N
XLogP2.46
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
2-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119349970
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide
CID 18206824
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-amino-2-methylpropyl)butanamide
CID 119629209
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide
CID 18111301
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 24681406
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide
CID 8574452
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100570202
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide
CID 39753065
methyl 3-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]-4-chlorobenzoate
CID 30932748

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide (CID 18121131) is 4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NN(C)c2ccccc2)cc1.
What is the InChIKey of 4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide?
The InChIKey is ARRLOJGICRPEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-16(24)17-11-13-19(14-12-17)28(26,27)22(2)15-7-10-20(25)21-23(3)18-8-5-4-6-9-18/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H,21,25).
What are the key properties of 4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide?
4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide is sourced from PubChem (CID 18121131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).