2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

C24H23N3O2S — CID 41375162

IUPAC2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NN=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23N3O2S/c1-18-9-8-14-21(15-18)25-22(28)16-30-17-23(29)26-27-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyXOZSGGJGTHILND-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.24
Rot. Bonds8

About 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 41375162) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID41375162
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NN=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23N3O2S/c1-18-9-8-14-21(15-18)25-22(28)16-30-17-23(29)26-27-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyXOZSGGJGTHILND-UHFFFAOYSA-N
XLogP4.24
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
1-benzhydrylidene-3-(3-methylphenyl)urea
CID 5196240
2-[2-(2-tert-butylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 18083809
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26676729
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-(2,3-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 51158819
2-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 30099663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (CID 41375162) is 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSCC(=O)NN=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is XOZSGGJGTHILND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-18-9-8-14-21(15-18)25-22(28)16-30-17-23(29)26-27-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 41375162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).