2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide

C19H21N3O3S — CID 7969125

IUPAC2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H21N3O3S/c1-13-8-9-16(14(2)10-13)20-17(23)11-26-12-18(24)21-22-19(25)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRFOJUHBAOYZYCN-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.44
Rot. Bonds6

About 2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide

2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide (PubChem CID 7969125) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
PubChem CID7969125
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H21N3O3S/c1-13-8-9-16(14(2)10-13)20-17(23)11-26-12-18(24)21-22-19(25)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRFOJUHBAOYZYCN-UHFFFAOYSA-N
XLogP2.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-acetylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 30905320
N-(2,4-dimethylphenyl)-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylacetamide
CID 7979282
ethyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 3708350
(2-fluorophenyl)methyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 7430388
N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
CID 7964866
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide
CID 9442218
N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087808
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
4-[[2-(carboxymethylsulfanyl)acetyl]amino]-3-methylbenzoic acid
CID 113427708
methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785524
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
CID 3505980

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide (CID 7969125) is 2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSCC(=O)NNC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is RFOJUHBAOYZYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-8-9-16(14(2)10-13)20-17(23)11-26-12-18(24)21-22-19(25)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide?
2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 7969125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).