N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide

C12H17N3O2S — CID 63582470

IUPACN-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide
SMILESCCC(Sc1ccc(NC(C)=O)cc1)C(=O)NN
InChIInChI=1S/C12H17N3O2S/c1-3-11(12(17)15-13)18-10-6-4-9(5-7-10)14-8(2)16/h4-7,11H,3,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHSJKZFBVQAEMQL-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.51
Rot. Bonds5

About N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide

N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide (PubChem CID 63582470) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide
PubChem CID63582470
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide
SMILESCCC(Sc1ccc(NC(C)=O)cc1)C(=O)NN
InChIInChI=1S/C12H17N3O2S/c1-3-11(12(17)15-13)18-10-6-4-9(5-7-10)14-8(2)16/h4-7,11H,3,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHSJKZFBVQAEMQL-UHFFFAOYSA-N
XLogP1.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide
CID 25049215
2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide
CID 19631326
4-[2-(4-methylphenyl)sulfanylbutanoylamino]benzoic acid
CID 23970288
(2S)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 30386688
2-(3-methoxyphenyl)sulfanylbutanehydrazide
CID 63582830
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide
CID 18901090
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 93487348
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
2-(2,5-dichlorophenyl)sulfanylbutanehydrazide
CID 63582266

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide (CID 63582470) is N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide is CCC(Sc1ccc(NC(C)=O)cc1)C(=O)NN.
What is the InChIKey of N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide?
The InChIKey is HSJKZFBVQAEMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-11(12(17)15-13)18-10-6-4-9(5-7-10)14-8(2)16/h4-7,11H,3,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide?
N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide has a molecular weight of 267.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 63582470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).