2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide

C18H20N2O2S2 — CID 9418190

IUPAC2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S2/c1-14-7-9-16(10-8-14)24-13-18(22)20-19-17(21)12-23-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeySKJIWOXKHUJZHH-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.17
Rot. Bonds7

About 2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide

2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide (PubChem CID 9418190) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide.

Molecular Properties

Compound Name2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
PubChem CID9418190
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S2/c1-14-7-9-16(10-8-14)24-13-18(22)20-19-17(21)12-23-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeySKJIWOXKHUJZHH-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
benzyl 2-(4-methylphenyl)sulfanylacetate
CID 162405759
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633748
1-benzylsulfanyl-4-methylbenzene
CID 10940369
1-[[2-(4-methylphenyl)sulfanylacetyl]amino]-3-(2-phenylsulfanylethyl)thiourea
CID 9095240
2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 3774392
tert-butyl N-[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamate
CID 2219793
3-[[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]methylsulfanyl]propanoic acid
CID 119241173
(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide
CID 42377293
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide?
The IUPAC name of 2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide (CID 9418190) is 2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide.
What is the SMILES notation for 2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide?
The canonical SMILES for 2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide is Cc1ccc(SCC(=O)NNC(=O)CSCc2ccccc2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide?
The InChIKey is SKJIWOXKHUJZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-14-7-9-16(10-8-14)24-13-18(22)20-19-17(21)12-23-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide?
2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide has a molecular weight of 360.50 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide is sourced from PubChem (CID 9418190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).