N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

C20H23N5OS — CID 39476767

IUPACN'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
SMILESCC(C)n1cnnc1SCC(=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N5OS/c1-16(2)24-15-21-22-20(24)27-14-19(26)23-25(18-11-7-4-8-12-18)13-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,26)
InChIKeyAYJHMCIUERGHIK-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.69
Rot. Bonds8

About N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide (PubChem CID 39476767) has the molecular formula C20H23N5OS and a molecular weight of 381.50 g/mol. Its IUPAC name is N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide.

Molecular Properties

Compound NameN'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
PubChem CID39476767
Molecular FormulaC20H23N5OS
Molecular Weight381.50 g/mol
Exact Mass381.16
IUPAC NameN'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
SMILESCC(C)n1cnnc1SCC(=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N5OS/c1-16(2)24-15-21-22-20(24)27-14-19(26)23-25(18-11-7-4-8-12-18)13-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,26)
InChIKeyAYJHMCIUERGHIK-UHFFFAOYSA-N
XLogP3.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-diphenylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352411
N-(2,3-dihydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 66176836
N-[(2S)-2-hydroxypropyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 83029926
N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352435
(3R)-3-phenyl-3-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide
CID 166206922
N'-acetyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 7675458
2-methyl-4-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid
CID 80539196
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4881187
N-(4-propan-2-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675740
N-(2-hydroxy-3-methylbutyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 115744429
2-[2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
CID 8601354
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352432

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The IUPAC name of N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide (CID 39476767) is N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide.
What is the SMILES notation for N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The canonical SMILES for N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide is CC(C)n1cnnc1SCC(=O)NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The InChIKey is AYJHMCIUERGHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-16(2)24-15-21-22-20(24)27-14-19(26)23-25(18-11-7-4-8-12-18)13-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,26).
What are the key properties of N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide has a molecular weight of 381.50 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide is sourced from PubChem (CID 39476767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).